CID 275696

Bromomethyl phenyl sulfone

Structural Information

Molecular Formula

C₇H₇BrO₂S

SMILES

C1=CC=C(C=C1)S(=O)(=O)CBr

InChI

InChI=1S/C7H7BrO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

SKIMEKUYIQHJQV-UHFFFAOYSA-N

Compound name

bromomethylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 386
Patents: 233.93501 Da
Monoisotopic Mass: 1.4
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]+	234.94229	131.3
[M+Na]+	256.92423	144.2
[M-H]-	232.92773	138.3
[M+NH4]+	251.96883	153.5
[M+K]+	272.89817	132.8
[M+H-H2O]+	216.93227	132.4
[M+HCOO]-	278.93321	148.6
[M+CH3COO]-	292.94886	182.4
[M+Na-2H]-	254.90968	139.6
[M]+	233.93446	152.2
[M]-	233.93556	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe