CID 640241

13169-71-6

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	141.9
[M+Na]+	228.01865	151.0
[M-H]-	204.02215	146.2
[M+NH4]+	223.06325	161.3
[M+K]+	243.99259	145.5
[M+H-H2O]+	188.02669	135.6
[M+HCOO]-	250.02763	160.0
[M+CH3COO]-	264.04328	155.0
[M+Na-2H]-	226.00410	146.1
[M]+	205.02888	141.9
[M]-	205.02998	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe