CID 9568683

2,4-dinitro-n-(prop-2-enylideneamino)aniline

Structural Information

Molecular Formula
C9H8N4O4
SMILES
C=C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O4/c1-2-5-10-11-8-4-3-7(12(14)15)6-9(8)13(16)17/h2-6,11H,1H2/b10-5+
InChIKey
JJPZHGIYUVFTGG-BJMVGYQFSA-N
Compound name
2,4-dinitro-N-[(E)-prop-2-enylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

236.05455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06183 147.9
[M+Na]+ 259.04377 153.4
[M-H]- 235.04727 152.8
[M+NH4]+ 254.08837 163.3
[M+K]+ 275.01771 143.5
[M+H-H2O]+ 219.05181 149.6
[M+HCOO]- 281.05275 177.3
[M+CH3COO]- 295.06840 186.7
[M+Na-2H]- 257.02922 157.5
[M]+ 236.05400 144.6
[M]- 236.05510 144.6
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.