CID 2778710

129301-42-4

Structural Information

Molecular Formula
C6H6F8O4
SMILES
C(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H6F8O4/c7-3(8,1-15)17-5(11,12)6(13,14)18-4(9,10)2-16/h15-16H,1-2H2
InChIKey
CWIAFBQLWOMNFY-UHFFFAOYSA-N
Compound name
2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

294.01382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02110 150.9
[M+Na]+ 317.00304 158.8
[M-H]- 293.00654 138.8
[M+NH4]+ 312.04764 164.2
[M+K]+ 332.97698 157.3
[M+H-H2O]+ 277.01108 141.0
[M+HCOO]- 339.01202 157.7
[M+CH3COO]- 353.02767 195.1
[M+Na-2H]- 314.98849 156.2
[M]+ 294.01327 140.9
[M]- 294.01437 140.9
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