CID 6328588

Diazodinitrophenol

Structural Information

Molecular Formula
C6H3N4O5
SMILES
C1=C(C=C(C(=C1[N+]#N)O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H2N4O5/c7-8-4-1-3(9(12)13)2-5(6(4)11)10(14)15/h1-2H/p+1
InChIKey
IUKSYUOJRHDWRR-UHFFFAOYSA-O
Compound name
2-hydroxy-3,5-dinitrobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

1634
Patents

211.01035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01763 152.0
[M+Na]+ 233.99957 159.9
[M-H]- 210.00307 155.3
[M+NH4]+ 229.04417 165.3
[M+K]+ 249.97351 147.2
[M+H-H2O]+ 194.00761 149.5
[M+HCOO]- 256.00855 173.9
[M+CH3COO]- 270.02420 185.5
[M+Na-2H]- 231.98502 161.2
[M]+ 211.00980 143.3
[M]- 211.01090 143.3
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.