CID 2393641

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

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CN1C=CC=C1C(=O)NC(=O)CCl
InChI
InChI=1S/C8H9ClN2O2/c1-11-4-2-3-6(11)8(13)10-7(12)5-9/h2-4H,5H2,1H3,(H,10,12,13)
InChIKey
HYLCNIUWZLUPIA-UHFFFAOYSA-N
Compound name
N-(2-chloroacetyl)-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.03525 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 140.8
[M+Na]+ 223.02447 151.0
[M+NH4]+ 218.06907 147.7
[M+K]+ 238.99841 147.9
[M-H]- 199.02797 140.7
[M+Na-2H]- 221.00992 145.0
[M]+ 200.03470 142.1
[M]- 200.03580 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.