CID 2761405

2-bromo-1-chloro-4-(trifluoromethoxy)benzene

Structural Information

Molecular Formula

C₇H₃BrClF₃O

SMILES

C1=CC(=C(C=C1OC(F)(F)F)Br)Cl

InChI

InChI=1S/C7H3BrClF3O/c8-5-3-4(1-2-6(5)9)13-7(10,11)12/h1-3H

InChIKey

LTBFNTUNLKPFPI-UHFFFAOYSA-N

Compound name

2-bromo-1-chloro-4-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 273.9008 Da
Monoisotopic Mass: 4.4
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]+	274.90808	153.5
[M+Na]+	296.89002	156.1
[M+NH4]+	291.93462	156.9
[M+K]+	312.86396	155.3
[M-H]-	272.89352	150.2
[M+Na-2H]-	294.87547	155.4
[M]+	273.90025	152.0
[M]-	273.90135	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe