CID 10926147

Perfluorohept-3-ene

Structural Information

Molecular Formula
C7F14
SMILES
C(=C(/C(C(F)(F)F)(F)F)\F)(\C(C(C(F)(F)F)(F)F)(F)F)/F
InChI
InChI=1S/C7F14/c8-1(2(9)4(12,13)6(16,17)18)3(10,11)5(14,15)7(19,20)21/b2-1+
InChIKey
UAEWLONMSWUOCA-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,2,3,4,5,5,6,6,7,7,7-tetradecafluorohept-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

512
Patents

349.97763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.984906 159.7
[M+Na]+ 372.966848 169.2
[M-H]- 348.970354 144.7
[M+NH4]+ 368.011453 171.6
[M+K]+ 388.940788 165.8
[M+H-H2O]+ 332.974890 145.7
[M+HCOO]- 394.975831 159.2
[M+CH3COO]- 408.991481 212.5
[M+Na-2H]- 370.952296 159.7
[M]+ 349.97708142 136.7
[M]- 349.97817858 136.7
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