CID 2806785

2-(2-chlorophenyl)ethanethioamide

Structural Information

Molecular Formula
C8H8ClNS
SMILES
C1=CC=C(C(=C1)CC(=S)N)Cl
InChI
InChI=1S/C8H8ClNS/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey
GNGSSBBHSWKFCD-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

185.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01387 136.4
[M+Na]+ 207.99581 149.2
[M+NH4]+ 203.04041 146.2
[M+K]+ 223.96975 140.0
[M-H]- 183.99931 139.7
[M+Na-2H]- 205.98126 143.1
[M]+ 185.00604 139.9
[M]- 185.00714 139.9
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