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

12
Patents

252.08586 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 153.3
[M+Na]+ 275.07508 157.8
[M-H]- 251.07858 158.0
[M+NH4]+ 270.11968 168.0
[M+K]+ 291.04902 148.8
[M+H-H2O]+ 235.08312 154.8
[M+HCOO]- 297.08406 181.2
[M+CH3COO]- 311.09971 191.3
[M+Na-2H]- 273.06053 161.3
[M]+ 252.08531 150.3
[M]- 252.08641 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