CID 10538798

192863-38-0

Structural Information

Molecular Formula

C₆H₃BCl₂F₃

SMILES

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

InChI

InChI=1S/C6H3BCl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H/q-1

InChIKey

QSJNEBYIQGTUOX-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl)-trifluoroboranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.9657 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]+	213.97298	130.9
[M+Na]+	235.95492	141.9
[M-H]-	211.95842	128.7
[M+NH4]+	230.99952	150.6
[M+K]+	251.92886	136.4
[M+H-H2O]+	195.96296	127.7
[M+HCOO]-	257.96390	141.1
[M+CH3COO]-	271.97955	181.5
[M+Na-2H]-	233.94037	135.6
[M]+	212.96515	127.6
[M]-	212.96625	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.