CID 15685872

5267-37-8

Structural Information

Molecular Formula

C₁₃H₁₂ClN

SMILES

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

InChI

InChI=1S/C13H12ClN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2

InChIKey

LAYKXXDKBWCIFM-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 217.06583 Da
Monoisotopic Mass: 3.5
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]+	218.07311	147.1
[M+Na]+	240.05505	162.7
[M+NH4]+	235.09965	157.5
[M+K]+	256.02899	153.8
[M-H]-	216.05855	153.3
[M+Na-2H]-	238.04050	157.9
[M]+	217.06528	151.6
[M]-	217.06638	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe