CID 9562263

2-butanone, (2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C10H12N4O4
SMILES
CC/C(=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C
InChI
InChI=1S/C10H12N4O4/c1-3-7(2)11-12-9-5-4-8(13(15)16)6-10(9)14(17)18/h4-6,12H,3H2,1-2H3/b11-7+
InChIKey
WPWSANGSIWAACK-YRNVUSSQSA-N
Compound name
N-[(E)-butan-2-ylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

252.08586 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.093136 153.3
[M+Na]+ 275.075078 157.8
[M-H]- 251.078584 158.0
[M+NH4]+ 270.119683 168.0
[M+K]+ 291.049018 148.8
[M+H-H2O]+ 235.083120 154.8
[M+HCOO]- 297.084061 181.2
[M+CH3COO]- 311.099711 191.3
[M+Na-2H]- 273.060526 161.3
[M]+ 252.08531142 150.3
[M]- 252.08640858 150.3
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

patents stripe