CID 237357

2-phenoxyethane-1-thiol

Structural Information

Molecular Formula
C8H10OS
SMILES
C1=CC=C(C=C1)OCCS
InChI
InChI=1S/C8H10OS/c10-7-6-9-8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
WGZWXVFLOUVQLH-UHFFFAOYSA-N
Compound name
2-phenoxyethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1307
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 128.8
[M+Na]+ 177.03446 137.0
[M-H]- 153.03796 132.8
[M+NH4]+ 172.07906 150.6
[M+K]+ 193.00840 134.9
[M+H-H2O]+ 137.04250 123.4
[M+HCOO]- 199.04344 148.8
[M+CH3COO]- 213.05909 174.3
[M+Na-2H]- 175.01991 134.2
[M]+ 154.04469 132.0
[M]- 154.04579 132.0
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