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 142.3
[M+Na]+ 228.03796 151.0
[M-H]- 204.04146 142.5
[M+NH4]+ 223.08256 157.1
[M+K]+ 244.01190 138.1
[M+H-H2O]+ 188.04600 144.3
[M+HCOO]- 250.04694 163.2
[M+CH3COO]- 264.06259 169.0
[M+Na-2H]- 226.02341 154.9
[M]+ 205.04819 138.1
[M]- 205.04929 138.1
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.