CID 87277037

Ethyl perfluorooctyl ether

Structural Information

Molecular Formula
C10H5F17O
SMILES
CCOC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17O/c1-2-28-10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h2H2,1H3
InChIKey
MLVIGONYMDLXIU-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

464.0069 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.01418 160.8
[M+Na]+ 486.99612 166.7
[M-H]- 462.99962 166.2
[M+NH4]+ 482.04072 169.5
[M+K]+ 502.97006 174.3
[M+H-H2O]+ 447.00416 150.8
[M+HCOO]- 509.00510 181.8
[M+CH3COO]- 523.02075 232.9
[M+Na-2H]- 484.98157 160.7
[M]+ 464.00635 160.3
[M]- 464.00745 160.3
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