CID 20113831

2-(3-chlorophenyl)thioacetamide

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

4
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 135.0
[M+Na]+ 207.99581 143.7
[M-H]- 183.99931 138.6
[M+NH4]+ 203.04041 155.8
[M+K]+ 223.96975 138.6
[M+H-H2O]+ 168.00385 130.5
[M+HCOO]- 230.00479 149.4
[M+CH3COO]- 244.02044 181.2
[M+Na-2H]- 205.98126 137.3
[M]+ 185.00604 135.8
[M]- 185.00714 135.8
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