CID 25504153

N-(2-chloroacetyl)-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
C1=CNC(=C1)C(=O)NC(=O)CCl
InChI
InChI=1S/C7H7ClN2O2/c8-4-6(11)10-7(12)5-2-1-3-9-5/h1-3,9H,4H2,(H,10,11,12)
InChIKey
HRKXWSRJLZQUFA-UHFFFAOYSA-N
Compound name
N-(2-chloroacetyl)-1H-pyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0196 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02688 137.1
[M+Na]+ 209.00882 146.5
[M+NH4]+ 204.05342 143.8
[M+K]+ 224.98276 143.8
[M-H]- 185.01232 136.4
[M+Na-2H]- 206.99427 141.2
[M]+ 186.01905 138.0
[M]- 186.02015 138.0
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.