CID 39430

Methyl-fluoro-phosphorylcholine

Structural Information

Molecular Formula

C₆H₁₆FNO₂P

SMILES

C[N+](C)(C)CCOP(=O)(C)F

InChI

InChI=1S/C6H16FNO2P/c1-8(2,3)5-6-10-11(4,7)9/h5-6H2,1-4H3/q+1

InChIKey

OKNSDXKIPFDADW-UHFFFAOYSA-N

Compound name

2-[fluoro(methyl)phosphoryl]oxyethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.09027 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.09755	137.3
[M+Na]+	207.07949	145.0
[M-H]-	183.08299	137.3
[M+NH4]+	202.12409	158.6
[M+K]+	223.05343	140.4
[M+H-H2O]+	167.08753	133.2
[M+HCOO]-	229.08847	165.0
[M+CH3COO]-	243.10412	181.4
[M+Na-2H]-	205.06494	145.8
[M]+	184.08972	139.7
[M]-	184.09082	139.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.