CID 16794409

167404-38-8

Structural Information

Molecular Formula

C₈H₈BrClO₃S

SMILES

C1=CC(=CC=C1OCCBr)S(=O)(=O)Cl

InChI

InChI=1S/C8H8BrClO3S/c9-5-6-13-7-1-3-8(4-2-7)14(10,11)12/h1-4H,5-6H2

InChIKey

WAEDOYKLSKTBMS-UHFFFAOYSA-N

Compound name

4-(2-bromoethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 297.90662 Da
Monoisotopic Mass: 2.7
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]+	298.91390	142.5
[M+Na]+	320.89584	156.4
[M-H]-	296.89934	149.7
[M+NH4]+	315.94044	163.4
[M+K]+	336.86978	143.4
[M+H-H2O]+	280.90388	144.2
[M+HCOO]-	342.90482	155.3
[M+CH3COO]-	356.92047	191.7
[M+Na-2H]-	318.88129	149.7
[M]+	297.90607	167.2
[M]-	297.90717	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe