CID 426419

O-(4-nitrobenzoyl)hydroxylamine

Structural Information

Molecular Formula

C₇H₆N₂O₄

SMILES

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

InChI

InChI=1S/C7H6N2O4/c8-13-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H,8H2

InChIKey

VTKRSTQMGNRMHL-UHFFFAOYSA-N

Compound name

amino 4-nitrobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 446
Patents: 182.03276 Da
Monoisotopic Mass: 1.2
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]+	183.04004	133.1
[M+Na]+	205.02198	144.6
[M+NH4]+	200.06658	140.2
[M+K]+	220.99592	143.1
[M-H]-	181.02548	135.6
[M+Na-2H]-	203.00743	138.8
[M]+	182.03221	135.0
[M]-	182.03331	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe