PubChemLite - 17709-43-2 (C42H63O7P)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OP(=O)(OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C42H63O7P/c1-37(2,3)28-19-25(20-29(34(28)43)38(4,5)6)47-50(46,48-26-21-30(39(7,8)9)35(44)31(22-26)40(10,11)12)49-27-23-32(41(13,14)15)36(45)33(24-27)42(16,17)18/h19-24,43-45H,1-18H3

InChIKey

HOQYYGLJPAIXDU-UHFFFAOYSA-N

Compound name

tris(3,5-ditert-butyl-4-hydroxyphenyl) phosphate

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]+	711.43843	264.9
[M+Na]+	733.42037	269.5
[M+NH4]+	728.46497	273.1
[M+K]+	749.39431	273.6
[M-H]-	709.42387	265.0
[M+Na-2H]-	731.40582	260.5
[M]+	710.43060	267.9
[M]-	710.43170	267.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

711.43843

264.9

[M+Na]+

733.42037

269.5

[M+NH4]+

728.46497

273.1

[M+K]+

749.39431

273.6

[M-H]-

709.42387

265.0

[M+Na-2H]-

731.40582

260.5

[M]+

710.43060

267.9

[M]-

710.43170

267.9

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

17709-43-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe