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

118
Patents

294.01382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.021096 150.9
[M+Na]+ 317.003038 158.8
[M-H]- 293.006544 138.8
[M+NH4]+ 312.047643 164.2
[M+K]+ 332.976978 157.3
[M+H-H2O]+ 277.011080 141.0
[M+HCOO]- 339.012021 157.7
[M+CH3COO]- 353.027671 195.1
[M+Na-2H]- 314.988486 156.2
[M]+ 294.01327142 140.9
[M]- 294.01436858 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

literature stripe

Patent stripe

patents stripe