CID 4013651

5-(4-chlorophenyl)-2-furonitrile

Structural Information

Molecular Formula

C₁₁H₆ClNO

SMILES

C1=CC(=CC=C1C2=CC=C(O2)C#N)Cl

InChI

InChI=1S/C11H6ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H

InChIKey

JTGMARZVNVXBRE-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)furan-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.0138 Da
Monoisotopic Mass: 3.3
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]+	204.02108	143.7
[M+Na]+	226.00302	156.9
[M-H]-	202.00652	150.1
[M+NH4]+	221.04762	162.2
[M+K]+	241.97696	151.1
[M+H-H2O]+	186.01106	131.5
[M+HCOO]-	248.01200	161.1
[M+CH3COO]-	262.02765	156.8
[M+Na-2H]-	223.98847	149.0
[M]+	203.01325	141.8
[M]-	203.01435	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe