CID 2808088

3-chloro-2-thiophenecarboxamide

Structural Information

Molecular Formula
C5H4ClNOS
SMILES
C1=CSC(=C1Cl)C(=O)N
InChI
InChI=1S/C5H4ClNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
InChIKey
PUKKVMZZENXNSR-UHFFFAOYSA-N
Compound name
3-chlorothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

178
Patents

160.97021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.97749 129.3
[M+Na]+ 183.95943 139.3
[M-H]- 159.96293 133.4
[M+NH4]+ 179.00403 152.8
[M+K]+ 199.93337 135.6
[M+H-H2O]+ 143.96747 125.3
[M+HCOO]- 205.96841 145.6
[M+CH3COO]- 219.98406 174.3
[M+Na-2H]- 181.94488 130.7
[M]+ 160.96966 131.2
[M]- 160.97076 131.2
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