CID 12048614

1-phenyl-2-sulfanylethan-1-ol

Structural Information

Molecular Formula
C8H10OS
SMILES
C1=CC=C(C=C1)C(CS)O
InChI
InChI=1S/C8H10OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey
GADYZKYNBSDWMQ-UHFFFAOYSA-N
Compound name
1-phenyl-2-sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

154.04524 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 129.7
[M+Na]+ 177.034458 137.1
[M-H]- 153.037964 132.3
[M+NH4]+ 172.079063 150.7
[M+K]+ 193.008398 134.5
[M+H-H2O]+ 137.042500 124.5
[M+HCOO]- 199.043441 147.0
[M+CH3COO]- 213.059091 172.4
[M+Na-2H]- 175.019906 133.4
[M]+ 154.04469142 130.4
[M]- 154.04578858 130.4
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