CID 135459373

91532-29-5

Structural Information

Molecular Formula

C₇H₄N₄O₃

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NN=N2

InChI

InChI=1S/C7H4N4O3/c12-7-5-3-4(11(13)14)1-2-6(5)8-10-9-7/h1-3H,(H,8,9,12)

InChIKey

HFYBDBPOKYEMJB-UHFFFAOYSA-N

Compound name

6-nitro-3H-1,2,3-benzotriazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.02834 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]+	193.03562	133.0
[M+Na]+	215.01756	147.8
[M+NH4]+	210.06216	139.8
[M+K]+	230.99150	145.2
[M-H]-	191.02106	134.3
[M+Na-2H]-	213.00301	139.6
[M]+	192.02779	135.2
[M]-	192.02889	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe