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

16
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

literature stripe

Patent stripe

patents stripe