CID 13237703

4-amino-3-nitrobenzaldehyde

Structural Information

Molecular Formula

C₇H₆N₂O₃

SMILES

C1=CC(=C(C=C1C=O)[N+](=O)[O-])N

InChI

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

InChIKey

IIOCECYTBZBBAL-UHFFFAOYSA-N

Compound name

4-amino-3-nitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 166.03784 Da
Monoisotopic Mass: 0.7
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

literature stripe

Patent stripe

patents stripe