CID 4460494

5-(5-chloro-2-hydroxyphenyl)-1-phenylpyrazole acetate

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C15H11ClN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H
InChIKey
LORUSDINHPKFMM-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-phenylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.056 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 159.9
[M+Na]+ 293.04522 177.2
[M+NH4]+ 288.08982 169.0
[M+K]+ 309.01916 170.0
[M-H]- 269.04872 165.4
[M+Na-2H]- 291.03067 171.0
[M]+ 270.05545 164.4
[M]- 270.05655 164.4
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

patents stripe