CID 120309

3,3-dimethylbutyl methylphosphonofluoridate

Structural Information

Molecular Formula

C₇H₁₆FO₂P

SMILES

CC(C)(C)CCOP(=O)(C)F

InChI

InChI=1S/C7H16FO2P/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3

InChIKey

NKKBXWZXFGXITE-UHFFFAOYSA-N

Compound name

1-[fluoro(methyl)phosphoryl]oxy-3,3-dimethylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 182.08719 Da
Monoisotopic Mass: 2.0
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]+	183.09447	143.2
[M+Na]+	205.07641	150.9
[M-H]-	181.07991	141.3
[M+NH4]+	200.12101	164.2
[M+K]+	221.05035	150.9
[M+H-H2O]+	165.08445	136.4
[M+HCOO]-	227.08539	168.3
[M+CH3COO]-	241.10104	183.1
[M+Na-2H]-	203.06186	147.2
[M]+	182.08664	146.5
[M]-	182.08774	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.