CID 107335

4760-53-6

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂

SMILES

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

InChI

InChI=1S/C14H11ClN2/c15-14-8-11(17)6-7-12(14)13(9-16)10-4-2-1-3-5-10/h1-8,13H,17H2

InChIKey

ISOPQUKKXCXJIJ-UHFFFAOYSA-N

Compound name

2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 242.06108 Da
Monoisotopic Mass: 3.2
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]+	243.06836	155.8
[M+Na]+	265.05030	170.2
[M+NH4]+	260.09490	161.8
[M+K]+	281.02424	158.7
[M-H]-	241.05380	153.9
[M+Na-2H]-	263.03575	162.5
[M]+	242.06053	156.9
[M]-	242.06163	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe