CID 3041162

2-mercapto-4,6-di-tert-butylphenol

Structural Information

Molecular Formula
C14H22OS
SMILES
CC(C)(C)C1=CC(=C(C(=C1)S)O)C(C)(C)C
InChI
InChI=1S/C14H22OS/c1-13(2,3)9-7-10(14(4,5)6)12(15)11(16)8-9/h7-8,15-16H,1-6H3
InChIKey
SEUXZGMOSAXITB-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

238.13913 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14641 160.2
[M+Na]+ 261.12835 172.0
[M+NH4]+ 256.17295 168.6
[M+K]+ 277.10229 164.5
[M-H]- 237.13185 161.5
[M+Na-2H]- 259.11380 164.8
[M]+ 238.13858 163.0
[M]- 238.13968 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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