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 159.0
[M+Na]+ 293.04522 169.5
[M-H]- 269.04872 165.4
[M+NH4]+ 288.08982 174.5
[M+K]+ 309.01916 162.5
[M+H-H2O]+ 253.05326 150.3
[M+HCOO]- 315.05420 176.5
[M+CH3COO]- 329.06985 171.3
[M+Na-2H]- 291.03067 163.0
[M]+ 270.05545 160.5
[M]- 270.05655 160.5
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

patents stripe