CID 2774915

4,4,5,5,6,6,6-heptafluoro-2-hexen-1-ol

Structural Information

Molecular Formula
C6H5F7O
SMILES
C(C=CC(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6H5F7O/c7-4(8,2-1-3-14)5(9,10)6(11,12)13/h1-2,14H,3H2
InChIKey
FJRYHIWIYHYOTE-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluorohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

226.02286 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03014 138.8
[M+Na]+ 249.01208 147.6
[M-H]- 225.01558 129.2
[M+NH4]+ 244.05668 156.0
[M+K]+ 264.98602 144.6
[M+H-H2O]+ 209.02012 129.8
[M+HCOO]- 271.02106 149.3
[M+CH3COO]- 285.03671 185.7
[M+Na-2H]- 246.99753 143.5
[M]+ 226.02231 127.8
[M]- 226.02341 127.8
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