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

6
Patents

205.04874 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.056016 142.3
[M+Na]+ 228.037958 151.0
[M-H]- 204.041464 142.5
[M+NH4]+ 223.082563 157.1
[M+K]+ 244.011898 138.1
[M+H-H2O]+ 188.046000 144.3
[M+HCOO]- 250.046941 163.2
[M+CH3COO]- 264.062591 169.0
[M+Na-2H]- 226.023406 154.9
[M]+ 205.04819142 138.1
[M]- 205.04928858 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

patents stripe