CID 18754952

4-bromo-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₆BrClO₃S

SMILES

COC1=C(C=CC(=C1)Br)S(=O)(=O)Cl

InChI

InChI=1S/C7H6BrClO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3

InChIKey

QPPCLNMOYHCXMS-UHFFFAOYSA-N

Compound name

4-bromo-2-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 283.89096 Da
Monoisotopic Mass: 2.3
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]+	284.89824	137.9
[M+Na]+	306.88018	142.0
[M+NH4]+	301.92478	142.8
[M+K]+	322.85412	141.2
[M-H]-	282.88368	137.6
[M+Na-2H]-	304.86563	141.6
[M]+	283.89041	137.9
[M]-	283.89151	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe