CID 3739393

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

Structural Information

Molecular Formula
C17H12Cl2N2O3
SMILES
COC1=CC=CC=C1N2C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C17H12Cl2N2O3/c1-24-16-5-3-2-4-14(16)21-15(17(22)23)9-13(20-21)11-7-6-10(18)8-12(11)19/h2-9H,1H3,(H,22,23)
InChIKey
XKDABZUWFWKPNV-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0225 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02978 179.7
[M+Na]+ 385.01172 196.3
[M+NH4]+ 380.05632 186.9
[M+K]+ 400.98566 190.1
[M-H]- 361.01522 183.7
[M+Na-2H]- 382.99717 188.2
[M]+ 362.02195 183.8
[M]- 362.02305 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.