97416-84-7 (C23H24Br8O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C1=CC(=C(C(=C1)Br)OCC(C)(CBr)Br)Br)C2=CC(=C(C(=C2)Br)OCC(C)(CBr)Br)Br

InChI

InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3

InChIKey

IYOVSGHZOIZSDC-UHFFFAOYSA-N

Compound name

1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)phenyl]propan-2-yl]-2-(2,3-dibromo-2-methylpropoxy)benzene

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]+	964.531626	181.0
[M+Na]+	986.513568	191.2
[M-H]-	962.517074	184.6
[M+NH4]+	981.558173	184.8
[M+K]+	1002.487508	182.7
[M+H-H2O]+	946.521610	186.9
[M+HCOO]-	1008.522551	182.9
[M+CH3COO]-	1022.538201	254.3
[M+Na-2H]-	984.499016	178.1
[M]+	963.52380142	188.2
[M]-	963.52489858	188.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

964.531626

181.0

[M+Na]+

986.513568

191.2

[M-H]-

962.517074

184.6

[M+NH4]+

981.558173

184.8

[M+K]+

1002.487508

182.7

[M+H-H2O]+

946.521610

186.9

[M+HCOO]-

1008.522551

182.9

[M+CH3COO]-

1022.538201

254.3

[M+Na-2H]-

984.499016

178.1

[M]+

963.52380142

188.2

[M]-

963.52489858

188.2

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

97416-84-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe