CID 11333478

Potassium octyltrifluoroborate

Structural Information

Molecular Formula

C₈H₁₇BF₃

SMILES

[B-](CCCCCCCC)(F)(F)F

InChI

InChI=1S/C8H17BF3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8H2,1H3/q-1

InChIKey

MKNLWFGCAHBNES-UHFFFAOYSA-N

Compound name

trifluoro(octyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.13754 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]+	182.144816	138.9
[M+Na]+	204.126758	145.2
[M-H]-	180.130264	133.1
[M+NH4]+	199.171363	158.6
[M+K]+	220.100698	143.5
[M+H-H2O]+	164.134800	134.3
[M+HCOO]-	226.135741	156.5
[M+CH3COO]-	240.151391	181.8
[M+Na-2H]-	202.112206	142.4
[M]+	181.13699142	134.8
[M]-	181.13808858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.