CID 14914908

3,3,4,4,5,5,6,6,6-nonafluorohexane-1,2-diol

Structural Information

Molecular Formula
C6H5F9O2
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C6H5F9O2/c7-3(8,2(17)1-16)4(9,10)5(11,12)6(13,14)15/h2,16-17H,1H2
InChIKey
DSXUTQAJEICFEW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

280.0146 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02188 147.5
[M+Na]+ 303.00382 155.6
[M-H]- 279.00732 134.5
[M+NH4]+ 298.04842 161.4
[M+K]+ 318.97776 153.2
[M+H-H2O]+ 263.01186 137.3
[M+HCOO]- 325.01280 152.0
[M+CH3COO]- 339.02845 194.3
[M+Na-2H]- 300.98927 150.6
[M]+ 280.01405 132.5
[M]- 280.01515 132.5
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