CID 165590573

1809099-10-2

Structural Information

Molecular Formula

C₆H₁₁BF₃O₂

SMILES

[B-](CCCCC(=O)OC)(F)(F)F

InChI

InChI=1S/C6H11BF3O2/c1-12-6(11)4-2-3-5-7(8,9)10/h2-5H2,1H3/q-1

InChIKey

IMWQRRAVMRSBCZ-UHFFFAOYSA-N

Compound name

trifluoro-(5-methoxy-5-oxopentyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.08041 Da
Monoisotopic Mass: None
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]+	184.087686	134.3
[M+Na]+	206.069628	141.5
[M-H]-	182.073134	128.9
[M+NH4]+	201.114233	153.7
[M+K]+	222.043568	141.0
[M+H-H2O]+	166.077670	129.9
[M+HCOO]-	228.078611	152.3
[M+CH3COO]-	242.094261	178.5
[M+Na-2H]-	204.055076	137.8
[M]+	183.07986142	130.9
[M]-	183.08095858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.