PubChemLite - 861909-39-9 (C48H53O4P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=CC3=CC=CC=C3C4=C2OP(=O)(OC5=C4C6=CC=CC=C6C=C5C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C48H53O4P/c1-45(2,3)33-21-31(22-34(27-33)46(4,5)6)39-25-29-17-13-15-19-37(29)41-42-38-20-16-14-18-30(38)26-40(44(42)52-53(49,50)51-43(39)41)32-23-35(47(7,8)9)28-36(24-32)48(10,11)12/h13-28H,1-12H3,(H,49,50)

InChIKey

GEIVXBCFEGGBDI-UHFFFAOYSA-N

Compound name

10,16-bis(3,5-ditert-butylphenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

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]+	725.37544	294.7
[M+Na]+	747.35738	300.2
[M-H]-	723.36088	306.3
[M+NH4]+	742.40198	295.5
[M+K]+	763.33132	303.0
[M+H-H2O]+	707.36542	281.4
[M+HCOO]-	769.36636	300.9
[M+CH3COO]-	783.38201	285.0
[M+Na-2H]-	745.34283	293.5
[M]+	724.36761	297.7
[M]-	724.36871	297.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

725.37544

294.7

[M+Na]+

747.35738

300.2

[M-H]-

723.36088

306.3

[M+NH4]+

742.40198

295.5

[M+K]+

763.33132

303.0

[M+H-H2O]+

707.36542

281.4

[M+HCOO]-

769.36636

300.9

[M+CH3COO]-

783.38201

285.0

[M+Na-2H]-

745.34283

293.5

[M]+

724.36761

297.7

[M]-

724.36871

297.7

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

861909-39-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe