PubChemLite - Schembl17606963 (C40H61O2P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)P(C1=C(C=CC(=C1C2=C(C=C(C=C2C3CCCCC3)C4CCCCC4)C5CCCCC5)OC)OC)C(C)(C)C

InChI

InChI=1S/C40H61O2P/c1-39(2,3)43(40(4,5)6)38-35(42-8)25-24-34(41-7)37(38)36-32(29-20-14-10-15-21-29)26-31(28-18-12-9-13-19-28)27-33(36)30-22-16-11-17-23-30/h24-30H,9-23H2,1-8H3

InChIKey

HSQLVGWSTDTIHG-UHFFFAOYSA-N

Compound name

ditert-butyl-[3,6-dimethoxy-2-(2,4,6-tricyclohexylphenyl)phenyl]phosphane

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]+	605.44818	256.7
[M+Na]+	627.43012	250.9
[M-H]-	603.43362	265.6
[M+NH4]+	622.47472	257.9
[M+K]+	643.40406	245.9
[M+H-H2O]+	587.43816	241.0
[M+HCOO]-	649.43910	263.3
[M+CH3COO]-	663.45475	267.6
[M+Na-2H]-	625.41557	242.3
[M]+	604.44035	246.9
[M]-	604.44145	246.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.44818

256.7

[M+Na]+

627.43012

250.9

[M-H]-

603.43362

265.6

[M+NH4]+

622.47472

257.9

[M+K]+

643.40406

245.9

[M+H-H2O]+

587.43816

241.0

[M+HCOO]-

649.43910

263.3

[M+CH3COO]-

663.45475

267.6

[M+Na-2H]-

625.41557

242.3

[M]+

604.44035

246.9

[M]-

604.44145

246.9

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

Schembl17606963

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe