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

0
Patents

250.0702 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07748 152.9
[M+Na]+ 273.05942 158.0
[M-H]- 249.06292 157.7
[M+NH4]+ 268.10402 167.8
[M+K]+ 289.03336 147.9
[M+H-H2O]+ 233.06746 154.4
[M+HCOO]- 295.06840 181.9
[M+CH3COO]- 309.08405 189.0
[M+Na-2H]- 271.04487 162.0
[M]+ 250.06965 149.8
[M]- 250.07075 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

No patent data available for this compound.