CID 130734564

5-bromo-1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula

C₅H₅BrN₂O

SMILES

C1=C(NC=C1C(=O)N)Br

InChI

InChI=1S/C5H5BrN2O/c6-4-1-3(2-8-4)5(7)9/h1-2,8H,(H2,7,9)

InChIKey

STTHEPKJUZUPGB-UHFFFAOYSA-N

Compound name

5-bromo-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 187.95853 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.965806	131.4
[M+Na]+	210.947748	143.2
[M-H]-	186.951254	135.1
[M+NH4]+	205.992353	153.8
[M+K]+	226.921688	132.0
[M+H-H2O]+	170.955790	130.9
[M+HCOO]-	232.956731	152.5
[M+CH3COO]-	246.972381	177.5
[M+Na-2H]-	208.933196	137.2
[M]+	187.95798142	146.5
[M]-	187.95907858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe