CID 88954

1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene

Structural Information

Molecular Formula
C5F10
SMILES
C(=C(F)F)(C(C(F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C5F10/c6-1(2(7)8)3(9,4(10,11)12)5(13,14)15
InChIKey
CPAQQPJFMVGXBQ-UHFFFAOYSA-N
Compound name
1,1,2,3,4,4,4-heptafluoro-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

249.98402 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99130 178.8
[M+Na]+ 272.97324 179.7
[M+NH4]+ 268.01784 178.4
[M+K]+ 288.94718 177.2
[M-H]- 248.97674 171.6
[M+Na-2H]- 270.95869 176.2
[M]+ 249.98347 176.6
[M]- 249.98457 176.6
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