CID 139597535

Dpas n=5

Structural Information

Molecular Formula
C8HF15O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C8HF15O/c9-1(2(10)4(13,14)15)3(11,12)5(16,17)6(18,19)7(20,21)8(22,23)24/h24H/b2-1+
InChIKey
VTNWPFDYJFVEDI-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,3,4,4,5,5,6,7,8,8,8-pentadecafluorooct-6-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.9788 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98608 168.4
[M+Na]+ 420.96802 168.4
[M+NH4]+ 416.01262 167.9
[M+K]+ 436.94196 168.1
[M-H]- 396.97152 165.6
[M+Na-2H]- 418.95347 167.8
[M]+ 397.97825 167.5
[M]- 397.97935 167.5
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

No patent data available for this compound.