CID 324052

32970-79-9

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: 16
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]+	242.07311	155.0
[M+Na]+	264.05505	170.3
[M+NH4]+	259.09965	161.5
[M+K]+	280.02899	157.9
[M-H]-	240.05855	152.9
[M+Na-2H]-	262.04050	162.4
[M]+	241.06528	156.3
[M]-	241.06638	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe