CID 11119642

5-amino-2-chlorobenzamide

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1=CC(=C(C=C1N)C(=O)N)Cl

InChI

InChI=1S/C7H7ClN2O/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H2,10,11)

InChIKey

KBIUWISITKJWTA-UHFFFAOYSA-N

Compound name

5-amino-2-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 170.02469 Da
Monoisotopic Mass: 0.9
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]+	171.03197	131.5
[M+Na]+	193.01391	143.5
[M+NH4]+	188.05851	140.0
[M+K]+	208.98785	137.9
[M-H]-	169.01741	134.2
[M+Na-2H]-	190.99936	137.9
[M]+	170.02414	134.0
[M]-	170.02524	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe