CID 5375714

1h,2h-perfluoro-1-iodooct-1-ene

Structural Information

Molecular Formula
C8H2F13I
SMILES
C(=C/I)\C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H/b2-1+
InChIKey
WDWNMIBWWPZNJK-OWOJBTEDSA-N
Compound name
(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

471.89935 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.906626 171.0
[M+Na]+ 494.888568 174.2
[M-H]- 470.892074 152.1
[M+NH4]+ 489.933173 178.5
[M+K]+ 510.862508 175.6
[M+H-H2O]+ 454.896610 155.2
[M+HCOO]- 516.897551 168.0
[M+CH3COO]- 530.913201 221.0
[M+Na-2H]- 492.874016 163.5
[M]+ 471.89880142 149.6
[M]- 471.89989858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.