CID 139026400

2361634-57-1

Structural Information

Molecular Formula
C7H6F2N2O2
SMILES
C1C2=C(C=NN2CC1(F)F)C(=O)O
InChI
InChI=1S/C7H6F2N2O2/c8-7(9)1-5-4(6(12)13)2-10-11(5)3-7/h2H,1,3H2,(H,12,13)
InChIKey
NNYXSBYYHKZVHW-UHFFFAOYSA-N
Compound name
5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03973 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04701 137.9
[M+Na]+ 211.02895 145.7
[M+NH4]+ 206.07355 145.0
[M+K]+ 227.00289 143.7
[M-H]- 187.03245 133.7
[M+Na-2H]- 209.01440 140.5
[M]+ 188.03918 137.4
[M]- 188.04028 137.4
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.