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

240
Patents

154.04524 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05252 129.7
[M+Na]+ 177.03446 137.1
[M-H]- 153.03796 132.3
[M+NH4]+ 172.07906 150.7
[M+K]+ 193.00840 134.5
[M+H-H2O]+ 137.04250 124.5
[M+HCOO]- 199.04344 147.0
[M+CH3COO]- 213.05909 172.4
[M+Na-2H]- 175.01991 133.4
[M]+ 154.04469 130.4
[M]- 154.04579 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