4,4',4''-methanetriyltris(2,6-di-tert-butylphenol) (C43H64O3)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C43H64O3/c1-38(2,3)28-19-25(20-29(35(28)44)39(4,5)6)34(26-21-30(40(7,8)9)36(45)31(22-26)41(10,11)12)27-23-32(42(13,14)15)37(46)33(24-27)43(16,17)18/h19-24,34,44-46H,1-18H3

InChIKey

FFOUWOPCDGXFNL-UHFFFAOYSA-N

Compound name

4-[bis(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,6-ditert-butylphenol

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]+	629.492806	246.3
[M+Na]+	651.474748	249.0
[M-H]-	627.478254	251.9
[M+NH4]+	646.519353	248.1
[M+K]+	667.448688	246.7
[M+H-H2O]+	611.482790	239.3
[M+HCOO]-	673.483731	247.7
[M+CH3COO]-	687.499381	272.2
[M+Na-2H]-	649.460196	244.3
[M]+	628.48498142	250.7
[M]-	628.48607858	250.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.492806

246.3

[M+Na]+

651.474748

249.0

[M-H]-

627.478254

251.9

[M+NH4]+

646.519353

248.1

[M+K]+

667.448688

246.7

[M+H-H2O]+

611.482790

239.3

[M+HCOO]-

673.483731

247.7

[M+CH3COO]-

687.499381

272.2

[M+Na-2H]-

649.460196

244.3

[M]+

628.48498142

250.7

[M]-

628.48607858

250.7

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

4,4',4''-methanetriyltris(2,6-di-tert-butylphenol)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe