CID 136181

355-74-8

Structural Information

Molecular Formula
C6H6F8O2
SMILES
C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
InChIKey
NHEKBXPLFJSSBZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2292
Patents

262.02402 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03130 178.9
[M+Na]+ 285.01324 179.8
[M+NH4]+ 280.05784 178.4
[M+K]+ 300.98718 177.6
[M-H]- 261.01674 169.5
[M+Na-2H]- 282.99869 175.6
[M]+ 262.02347 175.9
[M]- 262.02457 175.9
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