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]+ 359.20394 188.0
[M+Na]+ 381.18588 194.5
[M-H]- 357.18938 192.1
[M+NH4]+ 376.23048 200.9
[M+K]+ 397.15982 188.7
[M+H-H2O]+ 341.19392 181.3
[M+HCOO]- 403.19486 198.8
[M+CH3COO]- 417.21051 212.9
[M+Na-2H]- 379.17133 187.5
[M]+ 358.19611 191.7
[M]- 358.19721 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.