CID 28606400

1152975-93-3

Structural Information

Molecular Formula
C12H10Cl2N2O2
SMILES
CCC1=C(C=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C12H10Cl2N2O2/c1-2-10-8(12(17)18)6-15-16(10)11-4-3-7(13)5-9(11)14/h3-6H,2H2,1H3,(H,17,18)
InChIKey
SCHRBFICOCNDAU-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5-ethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01193 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.01921 158.2
[M+Na]+ 307.00115 169.7
[M-H]- 283.00465 161.2
[M+NH4]+ 302.04575 174.2
[M+K]+ 322.97509 163.3
[M+H-H2O]+ 267.00919 151.7
[M+HCOO]- 329.01013 169.6
[M+CH3COO]- 343.02578 195.7
[M+Na-2H]- 304.98660 159.0
[M]+ 284.01138 162.6
[M]- 284.01248 162.6
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.