CID 136574700

8,8-difluorobicyclo[5.1.0]octane-4-carboxylic acid

Structural Information

Molecular Formula
C9H12F2O2
SMILES
C1CC2C(C2(F)F)CCC1C(=O)O
InChI
InChI=1S/C9H12F2O2/c10-9(11)6-3-1-5(8(12)13)2-4-7(6)9/h5-7H,1-4H2,(H,12,13)
InChIKey
FDZWBXOJXZEZOZ-UHFFFAOYSA-N
Compound name
8,8-difluorobicyclo[5.1.0]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 123.9
[M+Na]+ 213.06976 131.0
[M-H]- 189.07326 126.6
[M+NH4]+ 208.11436 139.8
[M+K]+ 229.04370 132.3
[M+H-H2O]+ 173.07780 118.9
[M+HCOO]- 235.07874 139.4
[M+CH3COO]- 249.09439 186.2
[M+Na-2H]- 211.05521 128.8
[M]+ 190.07999 119.2
[M]- 190.08109 119.2
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.