CID 165943658

En300-28227421

Structural Information

Molecular Formula

C₄H₈BClF₃

SMILES

[B-](CC(C)CCl)(F)(F)F

InChI

InChI=1S/C4H8BClF3/c1-4(3-6)2-5(7,8)9/h4H,2-3H2,1H3/q-1

InChIKey

NMTCWJIJGBBBQN-UHFFFAOYSA-N

Compound name

(3-chloro-2-methylpropyl)-trifluoroboranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.03596 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]+	160.04324	128.1
[M+Na]+	182.02518	136.1
[M+NH4]+	177.06978	134.0
[M+K]+	197.99912	132.2
[M-H]-	158.02868	123.0
[M+Na-2H]-	180.01063	130.0
[M]+	159.03541	127.5
[M]-	159.03651	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.