CID 18947696

118754-55-5

Structural Information

Molecular Formula

C₇H₂BrCl₂F₃O

SMILES

C1=C(C=C(C(=C1Cl)Br)Cl)OC(F)(F)F

InChI

InChI=1S/C7H2BrCl2F3O/c8-6-4(9)1-3(2-5(6)10)14-7(11,12)13/h1-2H

InChIKey

CAAJZKZQEJSRJO-UHFFFAOYSA-N

Compound name

2-bromo-1,3-dichloro-5-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 307.86182 Da
Monoisotopic Mass: 5.1
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]+	308.86910	147.1
[M+Na]+	330.85104	163.2
[M-H]-	306.85454	150.2
[M+NH4]+	325.89564	167.8
[M+K]+	346.82498	148.8
[M+H-H2O]+	290.85908	147.3
[M+HCOO]-	352.86002	156.4
[M+CH3COO]-	366.87567	196.7
[M+Na-2H]-	328.83649	153.1
[M]+	307.86127	166.0
[M]-	307.86237	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe