CID 91384

(perfluorohexyl)ethylene

Structural Information

Molecular Formula
C8H3F13
SMILES
C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
InChIKey
FYQFWFHDPNXORA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3020
Patents

346.00272 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.01000 162.9
[M+Na]+ 368.99194 172.5
[M-H]- 344.99544 149.1
[M+NH4]+ 364.03654 175.0
[M+K]+ 384.96588 168.9
[M+H-H2O]+ 328.99998 149.8
[M+HCOO]- 391.00092 163.3
[M+CH3COO]- 405.01657 212.9
[M+Na-2H]- 366.97739 166.2
[M]+ 346.00217 142.3
[M]- 346.00327 142.3
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

patents stripe