CID 83670256

3,3-difluorooxane-4-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1COCC(C1C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O3/c7-6(8)3-11-2-1-4(6)5(9)10/h4H,1-3H2,(H,9,10)
InChIKey
GPLIATFXEYJWET-UHFFFAOYSA-N
Compound name
3,3-difluorooxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

166.04414 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.051416 129.0
[M+Na]+ 189.033358 136.1
[M-H]- 165.036864 129.2
[M+NH4]+ 184.077963 149.3
[M+K]+ 205.007298 136.5
[M+H-H2O]+ 149.041400 123.2
[M+HCOO]- 211.042341 145.5
[M+CH3COO]- 225.057991 172.9
[M+Na-2H]- 187.018806 134.5
[M]+ 166.04359142 123.6
[M]- 166.04468858 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