CID 10774165

132522-81-7

Structural Information

Molecular Formula

C₈H₆N₂O₄

SMILES

C1C(=O)NC2=C(C=CC=C2O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4/c11-7-4-14-6-3-1-2-5(10(12)13)8(6)9-7/h1-3H,4H2,(H,9,11)

InChIKey

MJMKRYIJNBIITM-UHFFFAOYSA-N

Compound name

5-nitro-4H-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 194.03276 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]+	195.04004	134.9
[M+Na]+	217.02198	148.2
[M+NH4]+	212.06658	142.6
[M+K]+	232.99592	146.0
[M-H]-	193.02548	138.4
[M+Na-2H]-	215.00743	139.5
[M]+	194.03221	137.5
[M]-	194.03331	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe