CID 54407937

2-amino-6-nitrobenzamide

Structural Information

Molecular Formula

C₇H₇N₃O₃

SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N)N

InChI

InChI=1S/C7H7N3O3/c8-4-2-1-3-5(10(12)13)6(4)7(9)11/h1-3H,8H2,(H2,9,11)

InChIKey

VSBVFLVLPDTKPJ-UHFFFAOYSA-N

Compound name

2-amino-6-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 181.04874 Da
Monoisotopic Mass: -0.5
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]+	182.05602	133.6
[M+Na]+	204.03796	144.3
[M+NH4]+	199.08256	140.6
[M+K]+	220.01190	143.2
[M-H]-	180.04146	136.7
[M+Na-2H]-	202.02341	138.7
[M]+	181.04819	135.5
[M]-	181.04929	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe