CID 9561232

4-nitrobenzaldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C13H9N5O6
SMILES
C1=CC(=CC=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C13H9N5O6/c19-16(20)10-3-1-9(2-4-10)8-14-15-12-6-5-11(17(21)22)7-13(12)18(23)24/h1-8,15H/b14-8+
InChIKey
NUBUWXTYLGHEJH-RIYZIHGNSA-N
Compound name
2,4-dinitro-N-[(E)-(4-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06258 171.9
[M+Na]+ 354.04452 174.0
[M-H]- 330.04802 178.7
[M+NH4]+ 349.08912 213.1
[M+K]+ 370.01846 160.0
[M+H-H2O]+ 314.05256 174.8
[M+HCOO]- 376.05350 229.0
[M+CH3COO]- 390.06915 199.6
[M+Na-2H]- 352.02997 182.3
[M]+ 331.05475 166.4
[M]- 331.05585 166.4
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.