CID 20113831

2-(3-chlorophenyl)ethanethioamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe