CID 324052

4-chloro-alpha-phenylhydrocinnamonitrile

Structural Information

Molecular Formula

C₁₅H₁₂ClN

SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C15H12ClN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-9,14H,10H2

InChIKey

ABVFADOVAQKBBK-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-2-phenylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 241.06583 Da
Monoisotopic Mass: 4.2
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]+	242.073106	157.5
[M+Na]+	264.055048	168.1
[M-H]-	240.058554	162.6
[M+NH4]+	259.099653	173.8
[M+K]+	280.028988	160.1
[M+H-H2O]+	224.063090	144.7
[M+HCOO]-	286.064031	172.8
[M+CH3COO]-	300.079681	168.4
[M+Na-2H]-	262.040496	161.8
[M]+	241.06528142	153.6
[M]-	241.06637858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe