CID 16774528

926265-67-0

Structural Information

Molecular Formula
C13H10F2N2O2
SMILES
C1CC2=C(C1)N(N=C2C(=O)O)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C13H10F2N2O2/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
DYCJIRSLFSRNQA-UHFFFAOYSA-N
Compound name
1-(2,4-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 159.2
[M+Na]+ 287.06026 169.2
[M+NH4]+ 282.10486 165.2
[M+K]+ 303.03420 167.5
[M-H]- 263.06376 157.8
[M+Na-2H]- 285.04571 162.2
[M]+ 264.07049 159.8
[M]- 264.07159 159.8
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

No patent data available for this compound.