CID 9568686

P-chlorobenzaldehyde (5-nitro-2-pyridyl)hydrazone

Structural Information

Molecular Formula
C12H9ClN4O2
SMILES
C1=CC(=CC=C1/C=N/NC2=NC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H9ClN4O2/c13-10-3-1-9(2-4-10)7-15-16-12-6-5-11(8-14-12)17(18)19/h1-8H,(H,14,16)/b15-7+
InChIKey
DUCXZFHQCWBTLC-VIZOYTHASA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04868 158.3
[M+Na]+ 299.03062 165.3
[M-H]- 275.03412 164.8
[M+NH4]+ 294.07522 172.7
[M+K]+ 315.00456 156.6
[M+H-H2O]+ 259.03866 154.5
[M+HCOO]- 321.03960 182.0
[M+CH3COO]- 335.05525 196.8
[M+Na-2H]- 297.01607 167.8
[M]+ 276.04085 158.5
[M]- 276.04195 158.5
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.