CID 23233249

(1z)-1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene

Structural Information

Molecular Formula
C5H2F8
SMILES
C(=C\F)\C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H/b2-1-
InChIKey
SKQJYUPAFGVYKS-UPHRSURJSA-N
Compound name
(Z)-1,3,4,4,4-pentafluoro-3-(trifluoromethyl)but-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

484
Patents

214.00287 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010146 133.6
[M+Na]+ 236.992088 143.4
[M-H]- 212.995594 124.5
[M+NH4]+ 232.036693 152.0
[M+K]+ 252.966028 140.8
[M+H-H2O]+ 197.000130 123.8
[M+HCOO]- 259.001071 144.7
[M+CH3COO]- 273.016721 186.0
[M+Na-2H]- 234.977536 138.6
[M]+ 214.00232142 121.2
[M]- 214.00341858 121.2
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