CID 206000

1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane

Structural Information

Molecular Formula
C6H5F9O
SMILES
CCOC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
InChIKey
DFUYAWQUODQGFF-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

10606
Patents

264.01965 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.026926 145.7
[M+Na]+ 287.008868 154.9
[M-H]- 263.012374 135.4
[M+NH4]+ 282.053473 161.7
[M+K]+ 302.982808 153.2
[M+H-H2O]+ 247.016910 135.0
[M+HCOO]- 309.017851 153.7
[M+CH3COO]- 323.033501 196.8
[M+Na-2H]- 284.994316 150.5
[M]+ 264.01910142 133.7
[M]- 264.02019858 133.7
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