CID 66661

2,2'-thiobis(6-tert-butyl-p-cresol)

Structural Information

Molecular Formula
C22H30O2S
SMILES
CC1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C
InChI
InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3
InChIKey
MQWCQFCZUNBTCM-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

26285
Patents

358.19666 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20394 186.1
[M+Na]+ 381.18588 194.2
[M-H]- 357.18938 190.9
[M+NH4]+ 376.23048 199.6
[M+K]+ 397.15982 188.6
[M+H-H2O]+ 341.19392 179.9
[M+HCOO]- 403.19486 196.8
[M+CH3COO]- 417.21051 215.5
[M+Na-2H]- 379.17133 184.5
[M]+ 358.19611 190.6
[M]- 358.19721 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe