CID 7130842

4-chloro-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula

C₅H₄ClNO₂

SMILES

C1=C(NC=C1Cl)C(=O)O

InChI

InChI=1S/C5H4ClNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,(H,8,9)

InChIKey

YOTWVAYGATYZPA-UHFFFAOYSA-N

Compound name

4-chloro-1H-pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 78
Patents: 144.99306 Da
Monoisotopic Mass: 1.2
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]+	146.00034	124.4
[M+Na]+	167.98228	135.6
[M+NH4]+	163.02688	132.0
[M+K]+	183.95622	132.8
[M-H]-	143.98578	123.6
[M+Na-2H]-	165.96773	129.0
[M]+	144.99251	125.7
[M]-	144.99361	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe