CID 12906536

22121-58-0

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO

SMILES

C1=CC=C(C(=C1)C=O)NC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C13H9Cl2NO/c14-10-5-3-6-11(15)13(10)16-12-7-2-1-4-9(12)8-17/h1-8,16H

InChIKey

MILOIOYXRHLAAH-UHFFFAOYSA-N

Compound name

2-(2,6-dichloroanilino)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 265.00613 Da
Monoisotopic Mass: 4.7
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]+	266.01341	154.6
[M+Na]+	287.99535	165.1
[M-H]-	263.99885	161.0
[M+NH4]+	283.03995	172.5
[M+K]+	303.96929	158.2
[M+H-H2O]+	248.00339	149.0
[M+HCOO]-	310.00433	171.0
[M+CH3COO]-	324.01998	196.7
[M+Na-2H]-	285.98080	160.0
[M]+	265.00558	158.0
[M]-	265.00668	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe