CID 89692936

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

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C1CC2(CCC1C(=O)O)CC2(F)F
InChI
InChI=1S/C9H12F2O2/c10-9(11)5-8(9)3-1-6(2-4-8)7(12)13/h6H,1-5H2,(H,12,13)
InChIKey
RVASSHNVWZETBJ-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.5]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 147.0
[M+Na]+ 213.06976 156.0
[M+NH4]+ 208.11436 156.8
[M+K]+ 229.04370 149.5
[M-H]- 189.07326 152.3
[M+Na-2H]- 211.05521 154.5
[M]+ 190.07999 150.8
[M]- 190.08109 150.8
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