CID 137944254

Rac-(1r,5s)-6,6-difluoro-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C6H6F2O3
SMILES
C1[C@@H]2[C@@](C2(F)F)(CO1)C(=O)O
InChI
InChI=1S/C6H6F2O3/c7-6(8)3-1-11-2-5(3,6)4(9)10/h3H,1-2H2,(H,9,10)/t3-,5+/m1/s1
InChIKey
AWIXFSWHFFLQKS-WUJLRWPWSA-N
Compound name
(1R,5S)-6,6-difluoro-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.0285 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03578 125.3
[M+Na]+ 187.01772 136.8
[M-H]- 163.02122 128.2
[M+NH4]+ 182.06232 145.6
[M+K]+ 202.99166 136.3
[M+H-H2O]+ 147.02576 121.3
[M+HCOO]- 209.02670 142.7
[M+CH3COO]- 223.04235 176.2
[M+Na-2H]- 185.00317 133.0
[M]+ 164.02795 126.8
[M]- 164.02905 126.8
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.