CID 4662126

Dtxsid60584270

Structural Information

Molecular Formula
C15H11FN2O
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C15H11FN2O/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
QKFMBJCBTUKIEZ-UHFFFAOYSA-N
Compound name
4-fluoro-2-(2-phenylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08554 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09282 157.9
[M+Na]+ 277.07476 173.1
[M+NH4]+ 272.11936 165.8
[M+K]+ 293.04870 167.0
[M-H]- 253.07826 161.7
[M+Na-2H]- 275.06021 168.0
[M]+ 254.08499 161.2
[M]- 254.08609 161.2
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.