CID 55300569

2-chloro-3-nitro-1h-pyrrole

Structural Information

Molecular Formula

C₄H₃ClN₂O₂

SMILES

C1=CNC(=C1[N+](=O)[O-])Cl

InChI

InChI=1S/C4H3ClN2O2/c5-4-3(7(8)9)1-2-6-4/h1-2,6H

InChIKey

DRVGSTOYBHWTRB-UHFFFAOYSA-N

Compound name

2-chloro-3-nitro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 145.98831 Da
Monoisotopic Mass: 1.5
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]+	146.99559	121.8
[M+Na]+	168.97753	134.7
[M+NH4]+	164.02213	130.4
[M+K]+	184.95147	133.4
[M-H]-	144.98103	123.5
[M+Na-2H]-	166.96298	127.6
[M]+	145.98776	124.1
[M]-	145.98886	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe