PubChemLite - 41642-52-8 (C39H56O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)CC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C39H56O2/c1-23-16-24(2)29(18-27-21-32(38(10,11)12)35(41)33(22-27)39(13,14)15)25(3)28(23)17-26-19-30(36(4,5)6)34(40)31(20-26)37(7,8)9/h16,19-22,40-41H,17-18H2,1-15H3

InChIKey

RHIVSELDHMBPHG-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]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]+	557.43532	239.9
[M+Na]+	579.41726	245.9
[M-H]-	555.42076	247.4
[M+NH4]+	574.46186	245.5
[M+K]+	595.39120	240.8
[M+H-H2O]+	539.42530	231.8
[M+HCOO]-	601.42624	247.7
[M+CH3COO]-	615.44189	262.3
[M+Na-2H]-	577.40271	235.5
[M]+	556.42749	245.7
[M]-	556.42859	245.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.43532

239.9

[M+Na]+

579.41726

245.9

[M-H]-

555.42076

247.4

[M+NH4]+

574.46186

245.5

[M+K]+

595.39120

240.8

[M+H-H2O]+

539.42530

231.8

[M+HCOO]-

601.42624

247.7

[M+CH3COO]-

615.44189

262.3

[M+Na-2H]-

577.40271

235.5

[M]+

556.42749

245.7

[M]-

556.42859

245.7

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

41642-52-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe