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]+ 191.087816 123.9
[M+Na]+ 213.069758 131.0
[M-H]- 189.073264 126.6
[M+NH4]+ 208.114363 139.8
[M+K]+ 229.043698 132.3
[M+H-H2O]+ 173.077800 118.9
[M+HCOO]- 235.078741 139.4
[M+CH3COO]- 249.094391 186.2
[M+Na-2H]- 211.055206 128.8
[M]+ 190.07999142 119.2
[M]- 190.08108858 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.