CID 4522662

4,4'-sulfonylbis(6-(tert-butyl)-m-cresol)

Structural Information

Molecular Formula
C22H30O4S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O4S/c1-13-9-17(23)15(21(3,4)5)11-19(13)27(25,26)20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKey
WXWMNIHSZVPJOL-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfonyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

486
Patents

390.1865 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19378 190.5
[M+Na]+ 413.17572 198.7
[M-H]- 389.17922 195.5
[M+NH4]+ 408.22032 202.3
[M+K]+ 429.14966 194.2
[M+H-H2O]+ 373.18376 184.5
[M+HCOO]- 435.18470 200.4
[M+CH3COO]- 449.20035 219.0
[M+Na-2H]- 411.16117 190.9
[M]+ 390.18595 195.9
[M]- 390.18705 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe