CID 17957376

Tridecafluorohexan-1-ol

Structural Information

Molecular Formula
C6HF13O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(O)(F)F)(F)F)(F)F
InChI
InChI=1S/C6HF13O/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20/h20H
InChIKey
ZXEIKCCCHZUUIC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1147
Patents

335.982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98928 158.3
[M+Na]+ 358.97122 167.9
[M-H]- 334.97472 143.3
[M+NH4]+ 354.01582 170.1
[M+K]+ 374.94516 164.9
[M+H-H2O]+ 318.97926 145.6
[M+HCOO]- 380.98020 157.9
[M+CH3COO]- 394.99585 207.7
[M+Na-2H]- 356.95667 162.4
[M]+ 335.98145 137.1
[M]- 335.98255 137.1
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