CID 116021

Sulfide, bis(4-t-butyl-m-cresyl)-

Structural Information

Molecular Formula
C22H30O2S
SMILES
CC(C)(C)C1=C(C=C(C=C1)CSCC2=CC(=C(C=C2)C(C)(C)C)O)O
InChI
InChI=1S/C22H30O2S/c1-21(2,3)17-9-7-15(11-19(17)23)13-25-14-16-8-10-18(20(24)12-16)22(4,5)6/h7-12,23-24H,13-14H2,1-6H3
InChIKey
QBYUZGABCGMOKX-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-[(4-tert-butyl-3-hydroxyphenyl)methylsulfanylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.19666 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.203936 188.0
[M+Na]+ 381.185878 194.5
[M-H]- 357.189384 192.1
[M+NH4]+ 376.230483 200.9
[M+K]+ 397.159818 188.7
[M+H-H2O]+ 341.193920 181.3
[M+HCOO]- 403.194861 198.8
[M+CH3COO]- 417.210511 212.9
[M+Na-2H]- 379.171326 187.5
[M]+ 358.19611142 191.7
[M]- 358.19720858 191.7
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

No patent data available for this compound.