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

200
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.