CID 86276644

6,6-difluorospiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C1CC(CCC12CC2C(=O)O)(F)F
InChI
InChI=1S/C9H12F2O2/c10-9(11)3-1-8(2-4-9)5-6(8)7(12)13/h6H,1-5H2,(H,12,13)
InChIKey
HWDQLQCPHNGWIW-UHFFFAOYSA-N
Compound name
6,6-difluorospiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

190.08054 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08782 137.1
[M+Na]+ 213.06976 146.0
[M-H]- 189.07326 140.0
[M+NH4]+ 208.11436 155.2
[M+K]+ 229.04370 144.5
[M+H-H2O]+ 173.07780 131.7
[M+HCOO]- 235.07874 153.0
[M+CH3COO]- 249.09439 182.0
[M+Na-2H]- 211.05521 142.1
[M]+ 190.07999 133.7
[M]- 190.08109 133.7
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