CID 2733252

Dchfb

Structural Information

Molecular Formula
C4Cl2F6
SMILES
C(=C(/C(F)(F)F)\Cl)(\C(F)(F)F)/Cl
InChI
InChI=1S/C4Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/b2-1+
InChIKey
XDIDQEGAKCWQQP-OWOJBTEDSA-N
Compound name
(E)-2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

537
Patents

231.92813 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93541 128.5
[M+Na]+ 254.91735 138.9
[M-H]- 230.92085 121.5
[M+NH4]+ 249.96195 147.6
[M+K]+ 270.89129 133.8
[M+H-H2O]+ 214.92539 122.0
[M+HCOO]- 276.92633 132.8
[M+CH3COO]- 290.94198 186.4
[M+Na-2H]- 252.90280 131.6
[M]+ 231.92758 121.3
[M]- 231.92868 121.3
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