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
2
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]+ 398.986076 169.7
[M+Na]+ 420.968018 178.6
[M-H]- 396.971524 152.8
[M+NH4]+ 416.012623 157.8
[M+K]+ 436.941958 174.9
[M+H-H2O]+ 380.976060 155.6
[M+HCOO]- 442.977001 166.7
[M+CH3COO]- 456.992651 218.6
[M+Na-2H]- 418.953466 169.8
[M]+ 397.97825142 144.5
[M]- 397.97934858 144.5
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.