CID 346089

Butyraldehyde 2,4-dinitrophenylhydrazone

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CCCC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h4-7,12H,2-3H2,1H3
InChIKey
IKGRHEWIFBFXPP-UHFFFAOYSA-N
Compound name
N-(butylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

252.08586 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.093136 153.6
[M+Na]+ 275.075078 158.3
[M-H]- 251.078584 158.3
[M+NH4]+ 270.119683 168.4
[M+K]+ 291.049018 148.8
[M+H-H2O]+ 235.083120 155.0
[M+HCOO]- 297.084061 182.4
[M+CH3COO]- 311.099711 190.8
[M+Na-2H]- 273.060526 162.7
[M]+ 252.08531142 151.3
[M]- 252.08640858 151.3
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