CID 2757163

2-bromophenylsulfonylethanol

Structural Information

Molecular Formula

C₈H₉BrO₃S

SMILES

C1=CC=C(C(=C1)S(=O)(=O)CCO)Br

InChI

InChI=1S/C8H9BrO3S/c9-7-3-1-2-4-8(7)13(11,12)6-5-10/h1-4,10H,5-6H2

InChIKey

IBTZCZYNHPLQRS-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)sulfonylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 263.9456 Da
Monoisotopic Mass: 1.2
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]+	264.95288	136.3
[M+Na]+	286.93482	138.8
[M+NH4]+	281.97942	140.6
[M+K]+	302.90876	138.7
[M-H]-	262.93832	135.5
[M+Na-2H]-	284.92027	139.5
[M]+	263.94505	135.6
[M]-	263.94615	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe