CID 11715488

Fluoroethylcholine bromide

Structural Information

Molecular Formula
C6H15FNO
SMILES
C[N+](C)(CCO)CCF
InChI
InChI=1S/C6H15FNO/c1-8(2,4-3-7)5-6-9/h9H,3-6H2,1-2H3/q+1
InChIKey
HVTQGIFBNBMSGE-UHFFFAOYSA-N
Compound name
2-fluoroethyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

136.11377 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.12105 125.1
[M+Na]+ 159.10299 132.0
[M-H]- 135.10649 124.6
[M+NH4]+ 154.14759 147.0
[M+K]+ 175.07693 126.6
[M+H-H2O]+ 119.11103 123.1
[M+HCOO]- 181.11197 147.3
[M+CH3COO]- 195.12762 170.4
[M+Na-2H]- 157.08844 135.1
[M]+ 136.11322 123.7
[M]- 136.11432 123.7
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