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: 326
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	152.7
[M+Na]+	268.04997	161.2
[M-H]-	244.05347	159.6
[M+NH4]+	263.09457	170.7
[M+K]+	284.02391	155.8
[M+H-H2O]+	228.05801	146.3
[M+HCOO]-	290.05895	173.0
[M+CH3COO]-	304.07460	194.9
[M+Na-2H]-	266.03542	158.0
[M]+	245.06020	154.3
[M]-	245.06130	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe