CID 3052418

68763-96-2

Structural Information

Molecular Formula
C14H11ClN4O
SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC(=CC=C3)Cl)NN
InChI
InChI=1S/C14H11ClN4O/c15-9-4-3-5-10(8-9)19-14(20)12-7-2-1-6-11(12)13(17-16)18-19/h1-8H,16H2,(H,17,18)
InChIKey
OOJCYOGAFQCJGJ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4-hydrazinylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.06213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06941 162.4
[M+Na]+ 309.05135 173.4
[M-H]- 285.05485 167.5
[M+NH4]+ 304.09595 176.7
[M+K]+ 325.02529 166.3
[M+H-H2O]+ 269.05939 153.6
[M+HCOO]- 331.06033 181.0
[M+CH3COO]- 345.07598 174.2
[M+Na-2H]- 307.03680 170.2
[M]+ 286.06158 163.5
[M]- 286.06268 163.5
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.