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

68
Patents

358.19666 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.203936 186.1
[M+Na]+ 381.185878 194.2
[M-H]- 357.189384 190.9
[M+NH4]+ 376.230483 199.6
[M+K]+ 397.159818 188.6
[M+H-H2O]+ 341.193920 179.9
[M+HCOO]- 403.194861 196.8
[M+CH3COO]- 417.210511 215.5
[M+Na-2H]- 379.171326 184.5
[M]+ 358.19611142 190.6
[M]- 358.19720858 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