CID 69685

2-(phenylthio)ethanol

Structural Information

Molecular Formula
C8H10OS
SMILES
C1=CC=C(C=C1)SCCO
InChI
InChI=1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
KWWZHCSQVRVQGF-UHFFFAOYSA-N
Compound name
2-phenylsulfanylethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1049
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.052516 129.2
[M+Na]+ 177.034458 136.9
[M-H]- 153.037964 131.7
[M+NH4]+ 172.079063 150.3
[M+K]+ 193.008398 133.9
[M+H-H2O]+ 137.042500 124.0
[M+HCOO]- 199.043441 147.6
[M+CH3COO]- 213.059091 171.6
[M+Na-2H]- 175.019906 134.1
[M]+ 154.04469142 130.5
[M]- 154.04578858 130.5
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