CID 52991879

(2z)-1,1,1,4,4,4-hexafluorobut-2-ene

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-UPHRSURJSA-N
Compound name
(Z)-1,1,1,4,4,4-hexafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

6860
Patents

164.00607 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01335 123.3
[M+Na]+ 186.99529 132.9
[M-H]- 162.99879 116.5
[M+NH4]+ 182.03989 143.9
[M+K]+ 202.96923 131.0
[M+H-H2O]+ 147.00333 115.0
[M+HCOO]- 209.00427 138.4
[M+CH3COO]- 223.01992 176.3
[M+Na-2H]- 184.98074 129.2
[M]+ 164.00552 114.0
[M]- 164.00662 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