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
2
Annotation Hits

0
References

1019
Patents

154.04524 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 129.2
[M+Na]+ 177.03446 136.9
[M-H]- 153.03796 131.7
[M+NH4]+ 172.07906 150.3
[M+K]+ 193.00840 133.9
[M+H-H2O]+ 137.04250 124.0
[M+HCOO]- 199.04344 147.6
[M+CH3COO]- 213.05909 171.6
[M+Na-2H]- 175.01991 134.1
[M]+ 154.04469 130.5
[M]- 154.04579 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