CID 23587255

2-amino-3,5-dichlorobenzaldehyde

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

C1=C(C=C(C(=C1C=O)N)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2

InChIKey

GTAKYWVLPLTYSK-UHFFFAOYSA-N

Compound name

2-amino-3,5-dichlorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.97482 Da
Monoisotopic Mass: 2.5
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]+	189.98210	132.4
[M+Na]+	211.96404	147.2
[M+NH4]+	207.00864	141.7
[M+K]+	227.93798	139.7
[M-H]-	187.96754	135.1
[M+Na-2H]-	209.94949	139.8
[M]+	188.97427	135.9
[M]-	188.97537	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe