CID 13925

1022-13-5

Structural Information

Molecular Formula

C₁₄H₁₂ClNO

SMILES

CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3

InChIKey

WPNMLCMTDCANOZ-UHFFFAOYSA-N

Compound name

[5-chloro-2-(methylamino)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 288
Patents: 245.06075 Da
Monoisotopic Mass: 4.4
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]+	246.06803	153.4
[M+Na]+	268.04997	169.0
[M+NH4]+	263.09457	163.0
[M+K]+	284.02391	160.3
[M-H]-	244.05347	159.0
[M+Na-2H]-	266.03542	163.6
[M]+	245.06020	157.7
[M]-	245.06130	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe