CID 5367495

1019-57-4

Structural Information

Molecular Formula
C8H8N4O4
SMILES
C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+
InChIKey
ONBOQRNOMHHDFB-XNWCZRBMSA-N
Compound name
N-[(E)-ethylideneamino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

224.05455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06183 144.0
[M+Na]+ 247.04377 149.6
[M-H]- 223.04727 149.0
[M+NH4]+ 242.08837 159.9
[M+K]+ 263.01771 140.5
[M+H-H2O]+ 207.05181 145.8
[M+HCOO]- 269.05275 173.5
[M+CH3COO]- 283.06840 184.8
[M+Na-2H]- 245.02922 154.1
[M]+ 224.05400 141.0
[M]- 224.05510 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe