CID 22290

2,5-dichlorobenzamide

Structural Information

Molecular Formula

C₇H₅Cl₂NO

SMILES

C1=CC(=C(C=C1Cl)C(=O)N)Cl

InChI

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

InChIKey

NMHJIYQWKWHDSX-UHFFFAOYSA-N

Compound name

2,5-dichlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 568
Patents: 188.97482 Da
Monoisotopic Mass: 2.2
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	133.3
[M+Na]+	211.96404	143.7
[M-H]-	187.96754	136.5
[M+NH4]+	207.00864	154.0
[M+K]+	227.93798	138.7
[M+H-H2O]+	171.97208	130.0
[M+HCOO]-	233.97302	148.7
[M+CH3COO]-	247.98867	182.3
[M+Na-2H]-	209.94949	137.9
[M]+	188.97427	134.7
[M]-	188.97537	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe