CID 16365246

123345-71-1

Structural Information

Molecular Formula
C15H15FN2O2
SMILES
CCOC(=O)C1=NN(C2=C1CCC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C15H15FN2O2/c1-2-20-15(19)14-12-4-3-5-13(12)18(17-14)11-8-6-10(16)7-9-11/h6-9H,2-5H2,1H3
InChIKey
VDTGPKSNSIDZEO-UHFFFAOYSA-N
Compound name
ethyl 1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.11176 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11904 161.7
[M+Na]+ 297.10098 170.7
[M-H]- 273.10448 166.1
[M+NH4]+ 292.14558 180.0
[M+K]+ 313.07492 166.9
[M+H-H2O]+ 257.10902 153.1
[M+HCOO]- 319.10996 181.7
[M+CH3COO]- 333.12561 197.9
[M+Na-2H]- 295.08643 161.8
[M]+ 274.11121 162.8
[M]- 274.11231 162.8
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

patents stripe