CID 86677460

5,5-difluorooxane-2-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC(COC1C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O3/c7-6(8)2-1-4(5(9)10)11-3-6/h4H,1-3H2,(H,9,10)
InChIKey
QVMJWPBLYLFYHW-UHFFFAOYSA-N
Compound name
5,5-difluorooxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

166.04414 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 129.0
[M+Na]+ 189.03336 136.1
[M-H]- 165.03686 129.2
[M+NH4]+ 184.07796 149.3
[M+K]+ 205.00730 136.5
[M+H-H2O]+ 149.04140 123.2
[M+HCOO]- 211.04234 145.5
[M+CH3COO]- 225.05799 172.9
[M+Na-2H]- 187.01881 134.5
[M]+ 166.04359 123.6
[M]- 166.04469 123.6
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