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 154.6
[M+Na]+ 277.07476 164.5
[M-H]- 253.07826 160.0
[M+NH4]+ 272.11936 169.9
[M+K]+ 293.04870 158.6
[M+H-H2O]+ 237.08280 144.8
[M+HCOO]- 299.08374 175.8
[M+CH3COO]- 313.09939 166.9
[M+Na-2H]- 275.06021 158.6
[M]+ 254.08499 153.0
[M]- 254.08609 153.0
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.