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

31
Patents

190.08054 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.087816 137.1
[M+Na]+ 213.069758 146.0
[M-H]- 189.073264 140.0
[M+NH4]+ 208.114363 155.2
[M+K]+ 229.043698 144.5
[M+H-H2O]+ 173.077800 131.7
[M+HCOO]- 235.078741 153.0
[M+CH3COO]- 249.094391 182.0
[M+Na-2H]- 211.055206 142.1
[M]+ 190.07999142 133.7
[M]- 190.08108858 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