CID 5708528

66711-86-2

Structural Information

Molecular Formula
C4H2F6
SMILES
C(=C/C(F)(F)F)\C(F)(F)F
InChI
InChI=1S/C4H2F6/c5-3(6,7)1-2-4(8,9)10/h1-2H/b2-1+
InChIKey
NLOLSXYRJFEOTA-OWOJBTEDSA-N
Compound name
(E)-1,1,1,4,4,4-hexafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6381
Patents

164.00607 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.013346 123.3
[M+Na]+ 186.995288 132.9
[M-H]- 162.998794 116.5
[M+NH4]+ 182.039893 143.9
[M+K]+ 202.969228 131.0
[M+H-H2O]+ 147.003330 115.0
[M+HCOO]- 209.004271 138.4
[M+CH3COO]- 223.019921 176.3
[M+Na-2H]- 184.980736 129.2
[M]+ 164.00552142 114.0
[M]- 164.00661858 114.0
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