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]+ 253.09314 153.6
[M+Na]+ 275.07508 158.3
[M-H]- 251.07858 158.3
[M+NH4]+ 270.11968 168.4
[M+K]+ 291.04902 148.8
[M+H-H2O]+ 235.08312 155.0
[M+HCOO]- 297.08406 182.4
[M+CH3COO]- 311.09971 190.8
[M+Na-2H]- 273.06053 162.7
[M]+ 252.08531 151.3
[M]- 252.08641 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.