CID 70370

2,6-di-tert-butyl-4-mercaptophenol

Structural Information

Molecular Formula
C14H22OS
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S
InChI
InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
NFVMNXZFSKGLDR-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

854
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 154.3
[M+Na]+ 261.12835 162.8
[M-H]- 237.13185 157.5
[M+NH4]+ 256.17295 173.2
[M+K]+ 277.10229 159.5
[M+H-H2O]+ 221.13639 149.7
[M+HCOO]- 283.13733 167.6
[M+CH3COO]- 297.15298 192.6
[M+Na-2H]- 259.11380 156.0
[M]+ 238.13858 157.8
[M]- 238.13968 157.8
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