CID 164514

Methyl nonafluorobutyl ether

Structural Information

Molecular Formula
C5H3F9O
SMILES
COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChIKey
OKIYQFLILPKULA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

15359
Patents

250.00401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01129 140.9
[M+Na]+ 272.99323 150.5
[M-H]- 248.99673 130.8
[M+NH4]+ 268.03783 157.5
[M+K]+ 288.96717 149.1
[M+H-H2O]+ 233.00127 130.4
[M+HCOO]- 295.00221 149.3
[M+CH3COO]- 309.01786 193.9
[M+Na-2H]- 270.97868 146.2
[M]+ 250.00346 128.5
[M]- 250.00456 128.5
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

No patent data available for this compound.