CID 6818411

1527-96-4

Structural Information

Molecular Formula
C10H10N4O4
SMILES
CC=CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O4/c1-2-3-6-11-12-9-5-4-8(13(15)16)7-10(9)14(17)18/h2-7,12H,1H3
InChIKey
GFUVNGJSSAEZHW-UHFFFAOYSA-N
Compound name
N-(but-2-enylideneamino)-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0702 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.077476 152.9
[M+Na]+ 273.059418 158.0
[M-H]- 249.062924 157.7
[M+NH4]+ 268.104023 167.8
[M+K]+ 289.033358 147.9
[M+H-H2O]+ 233.067460 154.4
[M+HCOO]- 295.068401 181.9
[M+CH3COO]- 309.084051 189.0
[M+Na-2H]- 271.044866 162.0
[M]+ 250.06965142 149.8
[M]- 250.07074858 149.8
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