CID 3329932

3,5-dinitrobenzohydrazide

Structural Information

Molecular Formula
C7H6N4O5
SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NN
InChI
InChI=1S/C7H6N4O5/c8-9-7(12)4-1-5(10(13)14)3-6(2-4)11(15)16/h1-3H,8H2,(H,9,12)
InChIKey
IJVPILVRNBBRSO-UHFFFAOYSA-N
Compound name
3,5-dinitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

226.03381 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04109 140.7
[M+Na]+ 249.02303 145.9
[M-H]- 225.02653 144.1
[M+NH4]+ 244.06763 155.4
[M+K]+ 264.99697 136.8
[M+H-H2O]+ 209.03107 142.8
[M+HCOO]- 271.03201 167.8
[M+CH3COO]- 285.04766 181.0
[M+Na-2H]- 247.00848 149.2
[M]+ 226.03326 135.3
[M]- 226.03436 135.3
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.