CID 199166

Propanedinitrile, ((2,4-dinitrophenyl)hydrazono)-

Structural Information

Molecular Formula
C9H4N6O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C#N)C#N
InChI
InChI=1S/C9H4N6O4/c10-4-6(5-11)12-13-8-2-1-7(14(16)17)3-9(8)15(18)19/h1-3,13H
InChIKey
LKNKPNMNXMDFIT-UHFFFAOYSA-N
Compound name
2-[(2,4-dinitrophenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

260.0294 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03668 177.7
[M+Na]+ 283.01862 183.7
[M-H]- 259.02212 180.4
[M+NH4]+ 278.06322 186.0
[M+K]+ 298.99256 177.3
[M+H-H2O]+ 243.02666 167.0
[M+HCOO]- 305.02760 192.0
[M+CH3COO]- 319.04325 220.2
[M+Na-2H]- 281.00407 179.6
[M]+ 260.02885 166.5
[M]- 260.02995 166.5
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