CID 2737145

1,8-divinylperfluorooctane

Structural Information

Molecular Formula
C12H6F16
SMILES
C=CC(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F16/c1-3-5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4-2/h3-4H,1-2H2
InChIKey
JJLUWYULIBMDGF-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

261
Patents

454.0214 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.02868 163.8
[M+Na]+ 477.01062 170.8
[M-H]- 453.01412 169.2
[M+NH4]+ 472.05522 172.3
[M+K]+ 492.98456 178.2
[M+H-H2O]+ 437.01866 174.5
[M+HCOO]- 499.01960 185.5
[M+CH3COO]- 513.03525 232.5
[M+Na-2H]- 474.99607 163.5
[M]+ 454.02085 163.7
[M]- 454.02195 163.7
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

patents stripe