CID 16771183

1-(3,4-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=CC(=C(C=C3)F)F
InChI
InChI=1S/C13H10F2N2O2/c14-9-5-4-7(6-10(9)15)17-11-3-1-2-8(11)12(16-17)13(18)19/h4-6H,1-3H2,(H,18,19)
InChIKey
NCGNNPLZBMVISF-UHFFFAOYSA-N
Compound name
1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]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]+ 265.07832 154.9
[M+Na]+ 287.06026 165.2
[M-H]- 263.06376 157.2
[M+NH4]+ 282.10486 173.0
[M+K]+ 303.03420 160.5
[M+H-H2O]+ 247.06830 146.3
[M+HCOO]- 309.06924 173.0
[M+CH3COO]- 323.08489 166.9
[M+Na-2H]- 285.04571 154.5
[M]+ 264.07049 152.9
[M]- 264.07159 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.