CID 71310983

1201899-19-5

Structural Information

Molecular Formula

C₅H₃BClF₃N

SMILES

[B-](C1=C(N=CC=C1)Cl)(F)(F)F

InChI

InChI=1S/C5H3BClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H/q-1

InChIKey

QHXMYHYPTXMSGG-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-trifluoroboranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.99992 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]+	181.00720	124.7
[M+Na]+	202.98914	135.0
[M-H]-	178.99264	121.6
[M+NH4]+	198.03374	143.7
[M+K]+	218.96308	131.1
[M+H-H2O]+	162.99718	119.6
[M+HCOO]-	224.99812	138.9
[M+CH3COO]-	239.01377	175.1
[M+Na-2H]-	200.97459	131.5
[M]+	179.99937	119.8
[M]-	180.00047	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.