CID 72781455

Dtxsid401032660

Structural Information

Molecular Formula
C8H4F12O
SMILES
C(C=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)O
InChI
InChI=1S/C8H4F12O/c9-3(1-2-21)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1,21H,2H2
InChIKey
RIRNSDSPUYRGOI-UHFFFAOYSA-N
Compound name
3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.00705 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.01433 161.5
[M+Na]+ 366.99627 170.1
[M-H]- 342.99977 146.8
[M+NH4]+ 362.04087 173.2
[M+K]+ 382.97021 166.4
[M+H-H2O]+ 327.00431 148.9
[M+HCOO]- 389.00525 162.2
[M+CH3COO]- 403.02090 208.6
[M+Na-2H]- 364.98172 163.1
[M]+ 344.00650 141.9
[M]- 344.00760 141.9
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.