CID 66813

2,2'-thiobis(4-tert-pentylphenol)

Structural Information

Molecular Formula
C22H30O2S
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(C)(C)CC)O
InChI
InChI=1S/C22H30O2S/c1-7-21(3,4)15-9-11-17(23)19(13-15)25-20-14-16(10-12-18(20)24)22(5,6)8-2/h9-14,23-24H,7-8H2,1-6H3
InChIKey
JEBLAEFSCWNZMT-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-5-(2-methylbutan-2-yl)phenyl]sulfanyl-4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

358.19666 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20394 187.5
[M+Na]+ 381.18588 193.9
[M-H]- 357.18938 191.5
[M+NH4]+ 376.23048 200.3
[M+K]+ 397.15982 188.0
[M+H-H2O]+ 341.19392 180.8
[M+HCOO]- 403.19486 198.3
[M+CH3COO]- 417.21051 214.2
[M+Na-2H]- 379.17133 187.1
[M]+ 358.19611 191.3
[M]- 358.19721 191.3
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