CID 19614722

937599-56-9

Structural Information

Molecular Formula
C9H10F2N2O2
SMILES
C1CC2=C(C1)N(N=C2C(F)F)CC(=O)O
InChI
InChI=1S/C9H10F2N2O2/c10-9(11)8-5-2-1-3-6(5)13(12-8)4-7(14)15/h9H,1-4H2,(H,14,15)
InChIKey
ZJIPBXQIWJMYGR-UHFFFAOYSA-N
Compound name
2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.07103 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.078306 143.9
[M+Na]+ 239.060248 152.4
[M-H]- 215.063754 142.2
[M+NH4]+ 234.104853 163.6
[M+K]+ 255.034188 150.1
[M+H-H2O]+ 199.068290 136.0
[M+HCOO]- 261.069231 160.8
[M+CH3COO]- 275.084881 184.9
[M+Na-2H]- 237.045696 143.7
[M]+ 216.07048142 141.3
[M]- 216.07157858 141.3
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