CID 136181

2,2,3,3,4,4,5,5-octafluoro-1,6-hexanediol

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
3
Annotation Hits

3
References

2219
Patents

262.02402 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.031296 145.6
[M+Na]+ 285.013238 153.7
[M-H]- 261.016744 133.6
[M+NH4]+ 280.057843 160.3
[M+K]+ 300.987178 151.1
[M+H-H2O]+ 245.021280 136.1
[M+HCOO]- 307.022221 152.0
[M+CH3COO]- 321.037871 191.1
[M+Na-2H]- 282.998686 150.3
[M]+ 262.02347142 132.7
[M]- 262.02456858 132.7
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