CID 521935

2-bromo-4-chloroanisole

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C7H6BrClO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3

InChIKey

YJEMGEBDXDPBSP-UHFFFAOYSA-N

Compound name

2-bromo-4-chloro-1-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 401
Patents: 219.92906 Da
Monoisotopic Mass: 3.4
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]+	220.93634	133.8
[M+Na]+	242.91828	139.5
[M+NH4]+	237.96288	140.1
[M+K]+	258.89222	138.2
[M-H]-	218.92178	135.2
[M+Na-2H]-	240.90373	138.9
[M]+	219.92851	134.2
[M]-	219.92961	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe