CID 28606403

1152975-98-8

Structural Information

Molecular Formula
C13H12Cl2N2O2
SMILES
CC(C)C1=C(C=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C13H12Cl2N2O2/c1-7(2)12-9(13(18)19)6-16-17(12)11-4-3-8(14)5-10(11)15/h3-7H,1-2H3,(H,18,19)
InChIKey
MVYVJWRFMIPUPR-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0276 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03488 163.3
[M+Na]+ 321.01682 177.5
[M+NH4]+ 316.06142 170.4
[M+K]+ 336.99076 172.9
[M-H]- 297.02032 164.7
[M+Na-2H]- 319.00227 169.2
[M]+ 298.02705 166.2
[M]- 298.02815 166.2
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.