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 141.5
[M+Na]+ 223.02447 150.1
[M-H]- 199.02797 144.1
[M+NH4]+ 218.06907 161.7
[M+K]+ 238.99841 147.2
[M+H-H2O]+ 183.03251 135.7
[M+HCOO]- 245.03345 161.0
[M+CH3COO]- 259.04910 183.4
[M+Na-2H]- 221.00992 144.5
[M]+ 200.03470 143.7
[M]- 200.03580 143.7
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.