CID 10080767

5-phenyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC=C(C=C1)C2=CC(=CN2)C#N

InChI

InChI=1S/C11H8N2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-6,8,13H

InChIKey

QHCBCVFLFCKZJA-UHFFFAOYSA-N

Compound name

5-phenyl-1H-pyrrole-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 168.06874 Da
Monoisotopic Mass: 2.1
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]+	169.07602	138.9
[M+Na]+	191.05796	152.1
[M+NH4]+	186.10256	144.5
[M+K]+	207.03190	143.1
[M-H]-	167.06146	134.9
[M+Na-2H]-	189.04341	144.9
[M]+	168.06819	138.9
[M]-	168.06929	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe