CID 470435

4-(4-chlorophenyl)-1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC(=CC=C1C2=CNC=C2C(=O)N)Cl
InChI
InChI=1S/C11H9ClN2O/c12-8-3-1-7(2-4-8)9-5-14-6-10(9)11(13)15/h1-6,14H,(H2,13,15)
InChIKey
NFKYXUDTFXUQQA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.04034 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 146.5
[M+Na]+ 243.02956 155.7
[M-H]- 219.03306 150.6
[M+NH4]+ 238.07416 165.0
[M+K]+ 259.00350 149.7
[M+H-H2O]+ 203.03760 140.1
[M+HCOO]- 265.03854 165.1
[M+CH3COO]- 279.05419 185.3
[M+Na-2H]- 241.01501 149.4
[M]+ 220.03979 145.2
[M]- 220.04089 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.