CID 3663247

2-hydroxy-3,5-dinitrobenzohydrazide

Structural Information

Molecular Formula
C7H6N4O6
SMILES
C1=C(C=C(C(=C1C(=O)NN)O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N4O6/c8-9-7(13)4-1-3(10(14)15)2-5(6(4)12)11(16)17/h1-2,12H,8H2,(H,9,13)
InChIKey
HWTXGJCHJRRKNS-UHFFFAOYSA-N
Compound name
2-hydroxy-3,5-dinitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

50
Patents

242.02873 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03601 142.4
[M+Na]+ 265.01795 147.7
[M-H]- 241.02145 144.8
[M+NH4]+ 260.06255 155.9
[M+K]+ 280.99189 138.4
[M+H-H2O]+ 225.02599 144.6
[M+HCOO]- 287.02693 168.1
[M+CH3COO]- 301.04258 181.7
[M+Na-2H]- 263.00340 150.3
[M]+ 242.02818 136.8
[M]- 242.02928 136.8
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