CID 2834447

34949-43-4

Structural Information

Molecular Formula
C11H8N4O4
SMILES
C1=CC=NC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H8N4O4/c16-14(17)8-4-5-9(10(7-8)15(18)19)13-11-3-1-2-6-12-11/h1-7H,(H,12,13)
InChIKey
WJJCHEFTTVHORZ-UHFFFAOYSA-N
Compound name
N-(2,4-dinitrophenyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

260.05457 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.061846 152.5
[M+Na]+ 283.043788 157.4
[M-H]- 259.047294 158.0
[M+NH4]+ 278.088393 164.8
[M+K]+ 299.017728 146.6
[M+H-H2O]+ 243.051830 152.5
[M+HCOO]- 305.052771 178.5
[M+CH3COO]- 319.068421 186.7
[M+Na-2H]- 281.029236 163.5
[M]+ 260.05402142 148.2
[M]- 260.05511858 148.2
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