CID 5371687

M654bo4v87

Structural Information

Molecular Formula
C4HClF6
SMILES
C(=C(/C(F)(F)F)\Cl)\C(F)(F)F
InChI
InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1-
InChIKey
JRENXZBKMHPULY-UPHRSURJSA-N
Compound name
(Z)-2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

197.9671 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.97438 126.2
[M+Na]+ 220.95632 136.4
[M-H]- 196.95982 119.4
[M+NH4]+ 216.00092 146.2
[M+K]+ 236.93026 132.6
[M+H-H2O]+ 180.96436 118.7
[M+HCOO]- 242.96530 136.0
[M+CH3COO]- 256.98095 180.9
[M+Na-2H]- 218.94177 130.7
[M]+ 197.96655 118.2
[M]- 197.96765 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe