CID 14388411

1-(4-sulfanylphenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H10OS
SMILES
CC(C1=CC=C(C=C1)S)O
InChI
InChI=1S/C8H10OS/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
InChIKey
OEFNBHQZFVQRJR-UHFFFAOYSA-N
Compound name
1-(4-sulfanylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

154.04524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 129.0
[M+Na]+ 177.034458 137.2
[M-H]- 153.037964 131.9
[M+NH4]+ 172.079063 150.2
[M+K]+ 193.008398 134.7
[M+H-H2O]+ 137.042500 124.0
[M+HCOO]- 199.043441 146.2
[M+CH3COO]- 213.059091 173.5
[M+Na-2H]- 175.019906 132.1
[M]+ 154.04469142 130.0
[M]- 154.04578858 130.0
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