CID 2775036

Ethyl 1,1,2,3,3,3-hexafluoropropyl ether

Structural Information

Molecular Formula
C5H6F6O
SMILES
CCOC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKey
DMECHFLLAQSVAD-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,3,3,3-hexafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

196.03229 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03957 132.3
[M+Na]+ 219.02151 140.8
[M-H]- 195.02501 125.2
[M+NH4]+ 214.06611 151.4
[M+K]+ 234.99545 140.1
[M+H-H2O]+ 179.02955 123.5
[M+HCOO]- 241.03049 146.1
[M+CH3COO]- 255.04614 184.4
[M+Na-2H]- 217.00696 136.5
[M]+ 196.03174 124.9
[M]- 196.03284 124.9
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