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]+ 472.90663 171.0
[M+Na]+ 494.88857 174.2
[M-H]- 470.89207 152.1
[M+NH4]+ 489.93317 178.5
[M+K]+ 510.86251 175.6
[M+H-H2O]+ 454.89661 155.2
[M+HCOO]- 516.89755 168.0
[M+CH3COO]- 530.91320 221.0
[M+Na-2H]- 492.87402 163.5
[M]+ 471.89880 149.6
[M]- 471.89990 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.