CID 22005454

Propyl 1,1,2,2-tetrafluoroethyl ether

Structural Information

Molecular Formula
C5H8F4O
SMILES
CCCOC(C(F)F)(F)F
InChI
InChI=1S/C5H8F4O/c1-2-3-10-5(8,9)4(6)7/h4H,2-3H2,1H3
InChIKey
DEYAWNMYIUDQER-UHFFFAOYSA-N
Compound name
1-(1,1,2,2-tetrafluoroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

863
Patents

160.05113 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05841 127.2
[M+Na]+ 183.04035 135.1
[M-H]- 159.04385 122.4
[M+NH4]+ 178.08495 147.9
[M+K]+ 199.01429 134.9
[M+H-H2O]+ 143.04839 119.7
[M+HCOO]- 205.04933 144.7
[M+CH3COO]- 219.06498 178.6
[M+Na-2H]- 181.02580 131.9
[M]+ 160.05058 123.3
[M]- 160.05168 123.3
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