CID 854139

288401-60-5

Structural Information

Molecular Formula
C16H11FN2O2
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)F)O
InChI
InChI=1S/C16H11FN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChIKey
LUIKVPFJGVQNCR-UHFFFAOYSA-N
Compound name
(5-fluoro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

282.08044 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08772 161.5
[M+Na]+ 305.06966 170.7
[M-H]- 281.07316 166.9
[M+NH4]+ 300.11426 175.4
[M+K]+ 321.04360 165.2
[M+H-H2O]+ 265.07770 151.5
[M+HCOO]- 327.07864 181.8
[M+CH3COO]- 341.09429 173.1
[M+Na-2H]- 303.05511 163.9
[M]+ 282.07989 160.3
[M]- 282.08099 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe