CID 17087326

2-bromo-4,6-dichloroanisole

Structural Information

Molecular Formula

C₇H₅BrCl₂O

SMILES

COC1=C(C=C(C=C1Br)Cl)Cl

InChI

InChI=1S/C7H5BrCl2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3

InChIKey

OEYKUHBCPJRXGZ-UHFFFAOYSA-N

Compound name

1-bromo-3,5-dichloro-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 253.89008 Da
Monoisotopic Mass: 4.1
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]+	254.89736	140.0
[M+Na]+	276.87930	146.6
[M+NH4]+	271.92390	146.3
[M+K]+	292.85324	144.6
[M-H]-	252.88280	141.3
[M+Na-2H]-	274.86475	144.8
[M]+	253.88953	140.9
[M]-	253.89063	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe