CID 216669

37585-37-8

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)N2C(=CC(=O)N2C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c16-14-11-15(19)18(13-9-5-2-6-10-13)17(14)12-7-3-1-4-8-12/h1-11H
InChIKey
DVWNJXRYTFAXBW-UHFFFAOYSA-N
Compound name
5-chloro-1,2-diphenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.9
[M+Na]+ 293.04522 176.7
[M+NH4]+ 288.08982 168.0
[M+K]+ 309.01916 169.1
[M-H]- 269.04872 164.6
[M+Na-2H]- 291.03067 170.4
[M]+ 270.05545 163.5
[M]- 270.05655 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.