CID 3846347

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

Structural Information

Molecular Formula
C16H7Cl2F3N2O2
SMILES
C1=CC(=C(C=C1F)F)N2C(=CC(=N2)C3=CC(=C(C=C3Cl)Cl)F)C(=O)O
InChI
InChI=1S/C16H7Cl2F3N2O2/c17-9-5-10(18)11(20)4-8(9)13-6-15(16(24)25)23(22-13)14-2-1-7(19)3-12(14)21/h1-6H,(H,24,25)
InChIKey
GMXZRWNHWHAQKS-UHFFFAOYSA-N
Compound name
5-(2,4-dichloro-5-fluorophenyl)-2-(2,4-difluorophenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.98367 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.99095 176.9
[M+Na]+ 408.97289 190.6
[M-H]- 384.97639 179.9
[M+NH4]+ 404.01749 188.9
[M+K]+ 424.94683 181.8
[M+H-H2O]+ 368.98093 166.6
[M+HCOO]- 430.98187 185.2
[M+CH3COO]- 444.99752 187.4
[M+Na-2H]- 406.95834 174.2
[M]+ 385.98312 179.0
[M]- 385.98422 179.0
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.