CID 147196

Pyridazine, 4-nitro-, 1-oxide

Structural Information

Molecular Formula
C4H3N3O3
SMILES
C1=C[N+](=NC=C1[N+](=O)[O-])[O-]
InChI
InChI=1S/C4H3N3O3/c8-6-2-1-4(3-5-6)7(9)10/h1-3H
InChIKey
DLPVMLNSRZSOAK-UHFFFAOYSA-N
Compound name
4-nitro-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.01744 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.024716 124.8
[M+Na]+ 164.006658 133.2
[M-H]- 140.010164 125.3
[M+NH4]+ 159.051263 141.4
[M+K]+ 179.980598 123.6
[M+H-H2O]+ 124.014700 127.4
[M+HCOO]- 186.015641 148.2
[M+CH3COO]- 200.031291 158.5
[M+Na-2H]- 161.992106 137.3
[M]+ 141.01689142 120.5
[M]- 141.01798858 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe