CID 640241

(4-chlorophenyl)(1h-pyrrol-2-yl)methanone

Structural Information

Molecular Formula

C₁₁H₈ClNO

SMILES

C1=CNC(=C1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H8ClNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h1-7,13H

InChIKey

YTVORWPYOKKVAM-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 205.02943 Da
Monoisotopic Mass: 3.0
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]+	206.03671	142.1
[M+Na]+	228.01865	156.3
[M+NH4]+	223.06325	151.1
[M+K]+	243.99259	150.6
[M-H]-	204.02215	145.1
[M+Na-2H]-	226.00410	150.6
[M]+	205.02888	145.2
[M]-	205.02998	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe