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

14767
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

literature stripe

Patent stripe

patents stripe