CID 470438

4-(2,4-dichlorophenyl)-1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=CNC=C2C(=O)N
InChI
InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(10(13)3-6)8-4-15-5-9(8)11(14)16/h1-5,15H,(H2,14,16)
InChIKey
UWRAARMDOOZEIS-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

254.00137 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 153.3
[M+Na]+ 276.99059 163.6
[M-H]- 252.99409 156.9
[M+NH4]+ 272.03519 171.0
[M+K]+ 292.96453 156.4
[M+H-H2O]+ 236.99863 147.6
[M+HCOO]- 298.99957 166.6
[M+CH3COO]- 313.01522 191.1
[M+Na-2H]- 274.97604 154.6
[M]+ 254.00082 153.5
[M]- 254.00192 153.5
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

patents stripe