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

6
Patents

185.00659 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.013866 135.0
[M+Na]+ 207.995808 143.7
[M-H]- 183.999314 138.6
[M+NH4]+ 203.040413 155.8
[M+K]+ 223.969748 138.6
[M+H-H2O]+ 168.003850 130.5
[M+HCOO]- 230.004791 149.4
[M+CH3COO]- 244.020441 181.2
[M+Na-2H]- 205.981256 137.3
[M]+ 185.00604142 135.8
[M]- 185.00713858 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