CID 54420071

1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene

Structural Information

Molecular Formula
C5HF9
SMILES
C(=C(F)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5HF9/c6-2(7)1-3(8,4(9,10)11)5(12,13)14/h1H
InChIKey
UDLSJLBLIOSNHV-UHFFFAOYSA-N
Compound name
1,1,3,4,4,4-hexafluoro-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

462
Patents

231.99345 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00073 135.9
[M+Na]+ 254.98267 145.5
[M-H]- 230.98617 125.7
[M+NH4]+ 250.02727 153.3
[M+K]+ 270.95661 142.9
[M+H-H2O]+ 214.99071 125.3
[M+HCOO]- 276.99165 144.9
[M+CH3COO]- 291.00730 189.8
[M+Na-2H]- 252.96812 139.1
[M]+ 231.99290 121.4
[M]- 231.99400 121.4
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