4,4',4''-tris(4,5-dichlorophthalimido)trityl bromide [protecting reagent for primary alcohol] (C43H18BrCl6N3O6)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)N3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl)(C5=CC=C(C=C5)N6C(=O)C7=CC(=C(C=C7C6=O)Cl)Cl)Br)N8C(=O)C9=CC(=C(C=C9C8=O)Cl)Cl

InChI

InChI=1S/C43H18BrCl6N3O6/c44-43(19-1-7-22(8-2-19)51-37(54)25-13-31(45)32(46)14-26(25)38(51)55,20-3-9-23(10-4-20)52-39(56)27-15-33(47)34(48)16-28(27)40(52)57)21-5-11-24(12-6-21)53-41(58)29-17-35(49)36(50)18-30(29)42(53)59/h1-18H

InChIKey

JYHNGHXQORJDGQ-UHFFFAOYSA-N

Compound name

2-[4-[bromo-bis[4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]-5,6-dichloroisoindole-1,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	961.858276	281.4
[M+Na]+	983.840218	291.7
[M-H]-	959.843724	292.3
[M+NH4]+	978.884823	280.6
[M+K]+	999.814158	287.5
[M+H-H2O]+	943.848260	275.7
[M+HCOO]-	1005.849201	264.9
[M+CH3COO]-	1019.864851	282.6
[M+Na-2H]-	981.825666	267.4
[M]+	960.85045142	300.6
[M]-	960.85154858	300.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

961.858276

281.4

[M+Na]+

983.840218

291.7

[M-H]-

959.843724

292.3

[M+NH4]+

978.884823

280.6

[M+K]+

999.814158

287.5

[M+H-H2O]+

943.848260

275.7

[M+HCOO]-

1005.849201

264.9

[M+CH3COO]-

1019.864851

282.6

[M+Na-2H]-

981.825666

267.4

[M]+

960.85045142

300.6

[M]-

960.85154858

300.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4,4',4''-tris(4,5-dichlorophthalimido)trityl bromide [protecting reagent for primary alcohol]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe