CID 5171031

618382-90-4

Structural Information

Molecular Formula
C17H11Cl2FN2O2
SMILES
CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC(=C(C=C3Cl)Cl)F)C(=O)O
InChI
InChI=1S/C17H11Cl2FN2O2/c1-9-3-2-4-10(5-9)22-16(17(23)24)8-15(21-22)11-6-14(20)13(19)7-12(11)18/h2-8H,1H3,(H,23,24)
InChIKey
HEMGJEQMDBBDMT-UHFFFAOYSA-N
Compound name
5-(2,4-dichloro-5-fluorophenyl)-2-(3-methylphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.01816 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.02544 179.7
[M+Na]+ 387.00738 195.9
[M+NH4]+ 382.05198 186.6
[M+K]+ 402.98132 189.5
[M-H]- 363.01088 182.6
[M+Na-2H]- 384.99283 187.5
[M]+ 364.01761 183.4
[M]- 364.01871 183.4
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.