CID 614586

4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol

Structural Information

Molecular Formula
C6H4F7IO
SMILES
C(C(=CC(C(C(F)(F)F)(F)F)(F)F)I)O
InChI
InChI=1S/C6H4F7IO/c7-4(8,1-3(14)2-15)5(9,10)6(11,12)13/h1,15H,2H2
InChIKey
AAIXLNBYXIVUKR-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-2-iodohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

351.91953 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.92681 150.4
[M+Na]+ 374.90875 151.9
[M-H]- 350.91225 135.0
[M+NH4]+ 369.95335 162.2
[M+K]+ 390.88269 154.8
[M+H-H2O]+ 334.91679 138.1
[M+HCOO]- 396.91773 155.6
[M+CH3COO]- 410.93338 197.2
[M+Na-2H]- 372.89420 141.8
[M]+ 351.91898 137.2
[M]- 351.92008 137.2
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