CID 61075764

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

Structural Information

Molecular Formula
C13H10F2N2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C(=CC=C3)F)F
InChI
InChI=1S/C13H10F2N2O2/c14-8-4-2-6-10(11(8)15)17-9-5-1-3-7(9)12(16-17)13(18)19/h2,4,6H,1,3,5H2,(H,18,19)
InChIKey
JAMZXKPUSRETHC-UHFFFAOYSA-N
Compound name
1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.07104 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.078316 154.9
[M+Na]+ 287.060258 165.2
[M-H]- 263.063764 157.2
[M+NH4]+ 282.104863 173.0
[M+K]+ 303.034198 160.5
[M+H-H2O]+ 247.068300 146.3
[M+HCOO]- 309.069241 173.0
[M+CH3COO]- 323.084891 166.9
[M+Na-2H]- 285.045706 154.5
[M]+ 264.07049142 152.9
[M]- 264.07158858 152.9
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.