CID 3672814

1-(2-chlorophenyl)-3-(4-fluorophenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H10ClFN2O2
SMILES
C1=CC=C(C(=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)O)Cl
InChI
InChI=1S/C16H10ClFN2O2/c17-12-3-1-2-4-14(12)20-15(16(21)22)9-13(19-20)10-5-7-11(18)8-6-10/h1-9H,(H,21,22)
InChIKey
OXPRZRNKXURFLN-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.04147 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.04875 167.8
[M+Na]+ 339.03069 178.6
[M-H]- 315.03419 173.2
[M+NH4]+ 334.07529 181.4
[M+K]+ 355.00463 171.5
[M+H-H2O]+ 299.03873 158.2
[M+HCOO]- 361.03967 183.3
[M+CH3COO]- 375.05532 179.2
[M+Na-2H]- 337.01614 168.9
[M]+ 316.04092 169.2
[M]- 316.04202 169.2
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.