CID 3373596

1,2-bis(4-nitrobenzoyl)hydrazine

Structural Information

Molecular Formula
C14H10N4O6
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O6/c19-13(9-1-5-11(6-2-9)17(21)22)15-16-14(20)10-3-7-12(8-4-10)18(23)24/h1-8H,(H,15,19)(H,16,20)
InChIKey
TVWCBXOCFSQNHO-UHFFFAOYSA-N
Compound name
4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

330.06003 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06731 176.9
[M+Na]+ 353.04925 183.0
[M+NH4]+ 348.09385 185.5
[M+K]+ 369.02319 191.7
[M-H]- 329.05275 177.7
[M+Na-2H]- 351.03470 178.2
[M]+ 330.05948 178.8
[M]- 330.06058 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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