CID 129806523

3,3,4,4,5,5-hexafluorotetrahydro-2h-pyran

Structural Information

Molecular Formula
C5H4F6O
SMILES
C1C(C(C(CO1)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4F6O/c6-3(7)1-12-2-4(8,9)5(3,10)11/h1-2H2
InChIKey
UXEZVIVMMVSVMO-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5-hexafluorooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.01663 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02391 125.8
[M+Na]+ 217.00585 136.8
[M-H]- 193.00935 123.5
[M+NH4]+ 212.05045 149.7
[M+K]+ 232.97979 136.5
[M+H-H2O]+ 177.01389 118.2
[M+HCOO]- 239.01483 140.2
[M+CH3COO]- 253.03048 181.1
[M+Na-2H]- 214.99130 132.9
[M]+ 194.01608 116.6
[M]- 194.01718 116.6
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