CID 3316532

618102-79-7

Structural Information

Molecular Formula
C17H13FN2O2
SMILES
CC1=CC=CC=C1N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C17H13FN2O2/c1-11-4-2-3-5-15(11)20-16(17(21)22)10-14(19-20)12-6-8-13(18)9-7-12/h2-10H,1H3,(H,21,22)
InChIKey
BFONDCUVULLBJA-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-(2-methylphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0961 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10338 166.2
[M+Na]+ 319.08532 175.8
[M-H]- 295.08882 171.8
[M+NH4]+ 314.12992 179.8
[M+K]+ 335.05926 170.1
[M+H-H2O]+ 279.09336 156.3
[M+HCOO]- 341.09430 186.1
[M+CH3COO]- 355.10995 177.7
[M+Na-2H]- 317.07077 167.3
[M]+ 296.09555 165.8
[M]- 296.09665 165.8
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.