CID 9568699

28058-15-3

Structural Information

Molecular Formula
C12H8Cl2N4O2
SMILES
C1=CC(=C(C=C1/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C12H8Cl2N4O2/c13-10-3-1-8(5-11(10)14)6-16-17-12-4-2-9(7-15-12)18(19)20/h1-7H,(H,15,17)/b16-6+
InChIKey
GRVUBTATJFKTCI-OMCISZLKSA-N
Compound name
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.00244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00972 166.9
[M+Na]+ 332.99166 174.7
[M-H]- 308.99516 172.5
[M+NH4]+ 328.03626 180.5
[M+K]+ 348.96560 165.1
[M+H-H2O]+ 292.99970 163.9
[M+HCOO]- 355.00064 185.2
[M+CH3COO]- 369.01629 202.3
[M+Na-2H]- 330.97711 174.3
[M]+ 310.00189 168.7
[M]- 310.00299 168.7
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.