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[c]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]+ 217.07831 143.9
[M+Na]+ 239.06025 152.4
[M-H]- 215.06375 142.2
[M+NH4]+ 234.10485 163.6
[M+K]+ 255.03419 150.1
[M+H-H2O]+ 199.06829 136.0
[M+HCOO]- 261.06923 160.8
[M+CH3COO]- 275.08488 184.9
[M+Na-2H]- 237.04570 143.7
[M]+ 216.07048 141.3
[M]- 216.07158 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