CID 63704872

1246073-61-9

Structural Information

Molecular Formula

C₇H₆BClF₃

SMILES

[B-](CC1=CC(=CC=C1)Cl)(F)(F)F

InChI

InChI=1S/C7H6BClF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2/q-1

InChIKey

WIMWCWYXOLMEQS-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)methyl-trifluoroboranuide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 193.02032 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]+	194.027596	129.7
[M+Na]+	216.009538	139.3
[M-H]-	192.013044	127.8
[M+NH4]+	211.054143	149.7
[M+K]+	231.983478	135.0
[M+H-H2O]+	176.017580	125.5
[M+HCOO]-	238.018521	144.8
[M+CH3COO]-	252.034171	178.6
[M+Na-2H]-	213.994986	135.4
[M]+	193.01977142	125.3
[M]-	193.02086858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe