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]+ 187.026876 137.7
[M+Na]+ 209.008818 145.4
[M-H]- 185.012324 138.7
[M+NH4]+ 204.053423 157.5
[M+K]+ 224.982758 141.9
[M+H-H2O]+ 169.016860 132.1
[M+HCOO]- 231.017801 156.1
[M+CH3COO]- 245.033451 176.7
[M+Na-2H]- 206.994266 141.5
[M]+ 186.01905142 137.3
[M]- 186.02014858 137.3
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.