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

1
Patents

178.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.051416 131.9
[M+Na]+ 201.033358 142.1
[M-H]- 177.036864 134.5
[M+NH4]+ 196.077963 149.9
[M+K]+ 217.007298 142.2
[M+H-H2O]+ 161.041400 126.7
[M+HCOO]- 223.042341 147.1
[M+CH3COO]- 237.057991 179.3
[M+Na-2H]- 199.018806 139.9
[M]+ 178.04359142 131.8
[M]- 178.04468858 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

patents stripe