CID 14576136

1-(2,4-dichlorophenyl)-1h,4h,5h,6h-cyclopenta[c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C13H10Cl2N2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2O2/c14-7-4-5-11(9(15)6-7)17-10-3-1-2-8(10)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)
InChIKey
QQGLPZJTZFWPDK-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.01193 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01921 164.9
[M+Na]+ 319.00115 176.1
[M-H]- 295.00465 168.8
[M+NH4]+ 314.04575 182.9
[M+K]+ 334.97509 169.5
[M+H-H2O]+ 279.00919 158.5
[M+HCOO]- 341.01013 175.0
[M+CH3COO]- 355.02578 176.5
[M+Na-2H]- 316.98660 164.1
[M]+ 296.01138 167.9
[M]- 296.01248 167.9
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.