CID 21833

5621-86-3

Structural Information

Molecular Formula

C₁₄H₁₁Cl₂NO

SMILES

CNC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H11Cl2NO/c1-17-13-7-6-9(15)8-11(13)14(18)10-4-2-3-5-12(10)16/h2-8,17H,1H3

InChIKey

DQYHYPVCQHTLRO-UHFFFAOYSA-N

Compound name

[5-chloro-2-(methylamino)phenyl]-(2-chlorophenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 279.02176 Da
Monoisotopic Mass: 5.1
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]+	280.02904	158.8
[M+Na]+	302.01098	168.6
[M-H]-	278.01448	165.2
[M+NH4]+	297.05558	176.1
[M+K]+	317.98492	161.9
[M+H-H2O]+	262.01902	153.2
[M+HCOO]-	324.01996	173.9
[M+CH3COO]-	338.03561	200.5
[M+Na-2H]-	299.99643	162.5
[M]+	279.02121	162.1
[M]-	279.02231	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe