CID 346899

Hexanal 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C12H16N4O4
SMILES
CCCCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H16N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h6-9,14H,2-5H2,1H3
InChIKey
SJUYYAXVFFVQNX-UHFFFAOYSA-N
Compound name
N-(hexylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

280.11716 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12444 174.1
[M+Na]+ 303.10638 179.4
[M+NH4]+ 298.15098 182.0
[M+K]+ 319.08032 188.0
[M-H]- 279.10988 168.9
[M+Na-2H]- 301.09183 170.7
[M]+ 280.11661 175.1
[M]- 280.11771 175.1
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

patents stripe