CID 77435

Einecs 223-307-3

Structural Information

Molecular Formula
C22H30O2S
SMILES
CC1=CC(=CC(=C1SC2=C(C=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O2S/c1-13-9-15(23)11-17(21(3,4)5)19(13)25-20-14(2)10-16(24)12-18(20)22(6,7)8/h9-12,23-24H,1-8H3
InChIKey
MHIIENSHBMGNJE-UHFFFAOYSA-N
Compound name
3-tert-butyl-4-(2-tert-butyl-4-hydroxy-6-methylphenyl)sulfanyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
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

No literature data available for this compound.

Patent stripe

patents stripe