CID 122164141

7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8F2O3
SMILES
C1CC2C(C2(F)F)(OC1)C(=O)O
InChI
InChI=1S/C7H8F2O3/c8-7(9)4-2-1-3-12-6(4,7)5(10)11/h4H,1-3H2,(H,10,11)
InChIKey
UDPRWNCDCYXBRH-UHFFFAOYSA-N
Compound name
7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.05142 131.9
[M+Na]+ 201.03336 142.1
[M-H]- 177.03686 134.5
[M+NH4]+ 196.07796 149.9
[M+K]+ 217.00730 142.2
[M+H-H2O]+ 161.04140 126.7
[M+HCOO]- 223.04234 147.1
[M+CH3COO]- 237.05799 179.3
[M+Na-2H]- 199.01881 139.9
[M]+ 178.04359 131.8
[M]- 178.04469 131.8
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

No patent data available for this compound.