CID 5007836

3-(2,4-dichlorophenyl)-1-(2,4-difluorophenyl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C16H8Cl2F2N2O2
SMILES
C1=CC(=C(C=C1F)F)N2C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C16H8Cl2F2N2O2/c17-8-1-3-10(11(18)5-8)13-7-15(16(23)24)22(21-13)14-4-2-9(19)6-12(14)20/h1-7H,(H,23,24)
InChIKey
MSSHYVVNFFFVOA-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-2-(2,4-difluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.9931 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00038 174.9
[M+Na]+ 390.98232 187.8
[M-H]- 366.98582 178.9
[M+NH4]+ 386.02692 187.5
[M+K]+ 406.95626 179.4
[M+H-H2O]+ 350.99036 165.3
[M+HCOO]- 412.99130 184.2
[M+CH3COO]- 427.00695 185.7
[M+Na-2H]- 388.96777 173.4
[M]+ 367.99255 177.6
[M]- 367.99365 177.6
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.