PubChemLite - Sumilizer gp (C42H61O4P)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=C1O)C(C)(C)C)CCCOP2OC3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C4=C(O2)C(=CC(=C4)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3

InChIKey

MSXXDBCLAKQJQT-UHFFFAOYSA-N

Compound name

2-tert-butyl-6-methyl-4-[3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypropyl]phenol

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]+	661.43798	276.2
[M+Na]+	683.41992	280.5
[M-H]-	659.42342	284.5
[M+NH4]+	678.46452	277.8
[M+K]+	699.39386	285.5
[M+H-H2O]+	643.42796	267.0
[M+HCOO]-	705.42890	285.2
[M+CH3COO]-	719.44455	277.6
[M+Na-2H]-	681.40537	275.0
[M]+	660.43015	285.0
[M]-	660.43125	285.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

661.43798

276.2

[M+Na]+

683.41992

280.5

[M-H]-

659.42342

284.5

[M+NH4]+

678.46452

277.8

[M+K]+

699.39386

285.5

[M+H-H2O]+

643.42796

267.0

[M+HCOO]-

705.42890

285.2

[M+CH3COO]-

719.44455

277.6

[M+Na-2H]-

681.40537

275.0

[M]+

660.43015

285.0

[M]-

660.43125

285.0

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

Sumilizer gp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe