CID 46045

Dtxsid40981662

Structural Information

Molecular Formula
C7H15FNO2
SMILES
C[N+](C)(C)CC(=O)OCCF
InChI
InChI=1S/C7H15FNO2/c1-9(2,3)6-7(10)11-5-4-8/h4-6H2,1-3H3/q+1
InChIKey
SQPLGLFMMUGQDF-UHFFFAOYSA-N
Compound name
[2-(2-fluoroethoxy)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.10869 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11597 131.2
[M+Na]+ 187.09791 138.3
[M-H]- 163.10141 132.1
[M+NH4]+ 182.14251 152.6
[M+K]+ 203.07185 133.8
[M+H-H2O]+ 147.10595 128.8
[M+HCOO]- 209.10689 154.0
[M+CH3COO]- 223.12254 177.1
[M+Na-2H]- 185.08336 140.0
[M]+ 164.10814 132.0
[M]- 164.10924 132.0
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.