CID 2736735

148901-51-3

Structural Information

Molecular Formula

C₁₁H₇FN₂

SMILES

C1=CN(C=C1)C2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H

InChIKey

NPZSWZGYPPDMFS-UHFFFAOYSA-N

Compound name

2-fluoro-6-pyrrol-1-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 186.05933 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]+	187.06661	141.5
[M+Na]+	209.04855	154.8
[M+NH4]+	204.09315	146.6
[M+K]+	225.02249	145.6
[M-H]-	185.05205	136.3
[M+Na-2H]-	207.03400	147.1
[M]+	186.05878	141.1
[M]-	186.05988	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe