CID 3739393

618383-11-2

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
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)pyrazole-5-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]+ 363.029776 178.1
[M+Na]+ 385.011718 189.3
[M-H]- 361.015224 184.4
[M+NH4]+ 380.056323 190.6
[M+K]+ 400.985658 182.3
[M+H-H2O]+ 345.019760 169.7
[M+HCOO]- 407.020701 189.3
[M+CH3COO]- 421.036351 189.0
[M+Na-2H]- 382.997166 177.9
[M]+ 362.02195142 183.8
[M]- 362.02304858 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.