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 178.1
[M+Na]+ 385.01172 189.3
[M-H]- 361.01522 184.4
[M+NH4]+ 380.05632 190.6
[M+K]+ 400.98566 182.3
[M+H-H2O]+ 345.01976 169.7
[M+HCOO]- 407.02070 189.3
[M+CH3COO]- 421.03635 189.0
[M+Na-2H]- 382.99717 177.9
[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.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.