CID 15200291

2-amino-6-nitrobenzaldehyde

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

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

InChI

InChI=1S/C7H6N2O3/c8-6-2-1-3-7(9(11)12)5(6)4-10/h1-4H,8H2

InChIKey

HACOHMHYAQXUOL-UHFFFAOYSA-N

Compound name

2-amino-6-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 166.03784 Da
Monoisotopic Mass: 1.4
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]+	167.04512	129.8
[M+Na]+	189.02706	142.5
[M+NH4]+	184.07166	137.6
[M+K]+	205.00100	139.9
[M-H]-	165.03056	133.1
[M+Na-2H]-	187.01251	136.1
[M]+	166.03729	132.2
[M]-	166.03839	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe