CID 135758965

6804-21-3

Structural Information

Molecular Formula
C9H7N3O3
SMILES
C1=CC=C2C(=C1)[N+](=CC(=[N+]2[O-])/C=N/O)[O-]
InChI
InChI=1S/C9H7N3O3/c13-10-5-7-6-11(14)8-3-1-2-4-9(8)12(7)15/h1-6,13H/b10-5+
InChIKey
UBQYCBVOJMEZDX-BJMVGYQFSA-N
Compound name
(NE)-N-[(1,4-dioxidoquinoxaline-1,4-diium-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04874 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05602 143.1
[M+Na]+ 228.03796 159.6
[M+NH4]+ 223.08256 151.2
[M+K]+ 244.01190 157.0
[M-H]- 204.04146 146.8
[M+Na-2H]- 226.02341 149.3
[M]+ 205.04819 146.4
[M]- 205.04929 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.