CID 2736613

3-hydroxythiophenol

Structural Information

Molecular Formula
C6H6OS
SMILES
C1=CC(=CC(=C1)S)O
InChI
InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
InChIKey
DOFIAZGYBIBEGI-UHFFFAOYSA-N
Compound name
3-sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2038
Patents

126.01394 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02122 120.9
[M+Na]+ 149.00316 134.3
[M+NH4]+ 144.04776 131.1
[M+K]+ 164.97710 125.9
[M-H]- 125.00666 123.7
[M+Na-2H]- 146.98861 128.3
[M]+ 126.01339 124.1
[M]- 126.01449 124.1
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