CID 43184834

1019355-69-1

Structural Information

Molecular Formula

C₁₄H₁₄ClN

SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C14H14ClN/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(15)9-7-11/h2-9,14H,16H2,1H3

InChIKey

TUBGDDJIODQHPY-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(2-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 231.08148 Da
Monoisotopic Mass: 3.4
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]+	232.08876	151.2
[M+Na]+	254.07070	159.5
[M-H]-	230.07420	157.5
[M+NH4]+	249.11530	169.6
[M+K]+	270.04464	153.7
[M+H-H2O]+	214.07874	145.0
[M+HCOO]-	276.07968	170.4
[M+CH3COO]-	290.09533	193.1
[M+Na-2H]-	252.05615	155.4
[M]+	231.08093	151.0
[M]-	231.08203	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe