CID 83169205

2409048-01-5

Structural Information

Molecular Formula

C₆H₁₃BF₃

SMILES

[B-](CCCC(C)C)(F)(F)F

InChI

InChI=1S/C6H13BF3/c1-6(2)4-3-5-7(8,9)10/h6H,3-5H2,1-2H3/q-1

InChIKey

PFEHGMQZMHSFEY-UHFFFAOYSA-N

Compound name

trifluoro(4-methylpentyl)boranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.10625 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]+	154.11353	135.0
[M+Na]+	176.09547	142.1
[M+NH4]+	171.14007	140.4
[M+K]+	192.06941	138.1
[M-H]-	152.09897	129.8
[M+Na-2H]-	174.08092	136.0
[M]+	153.10570	133.9
[M]-	153.10680	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.