CID 5745908

1(2h)-phthalazinone, 4-chloro-, (2-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H10ClN5O2
SMILES
C1=CC=C2C(=C1)C(=NN=C2Cl)NNC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H10ClN5O2/c15-13-9-5-1-2-6-10(9)14(19-17-13)18-16-11-7-3-4-8-12(11)20(21)22/h1-8,16H,(H,18,19)
InChIKey
BRZWMSPEYNGYDV-UHFFFAOYSA-N
Compound name
1-(4-chlorophthalazin-1-yl)-2-(2-nitrophenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0523 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05958 164.6
[M+Na]+ 338.04152 171.8
[M-H]- 314.04502 169.4
[M+NH4]+ 333.08612 176.3
[M+K]+ 354.01546 161.9
[M+H-H2O]+ 298.04956 159.8
[M+HCOO]- 360.05050 184.3
[M+CH3COO]- 374.06615 203.5
[M+Na-2H]- 336.02697 176.0
[M]+ 315.05175 164.2
[M]- 315.05285 164.2
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.