CID 12249741

61405-25-2

Structural Information

Molecular Formula

C₁₂H₈BrClO₃S

SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)Br)S(=O)(=O)Cl

InChI

InChI=1S/C12H8BrClO3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H

InChIKey

PLFIHRLMNDKZGJ-UHFFFAOYSA-N

Compound name

4-(4-bromophenoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 345.90662 Da
Monoisotopic Mass: 4.2
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]+	346.91390	152.1
[M+Na]+	368.89584	158.0
[M+NH4]+	363.94044	157.4
[M+K]+	384.86978	155.7
[M-H]-	344.89934	154.2
[M+Na-2H]-	366.88129	158.5
[M]+	345.90607	153.2
[M]-	345.90717	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe