CID 132327828

Bromomethanesulfonylcyclopropane

Structural Information

Molecular Formula

C₄H₇BrO₂S

SMILES

C1CC1S(=O)(=O)CBr

InChI

InChI=1S/C4H7BrO2S/c5-3-8(6,7)4-1-2-4/h4H,1-3H2

InChIKey

RFYIDSWMIXUTAO-UHFFFAOYSA-N

Compound name

bromomethylsulfonylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.93501 Da
Monoisotopic Mass: 1.0
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]+	198.94229	124.7
[M+Na]+	220.92423	139.0
[M-H]-	196.92773	132.5
[M+NH4]+	215.96883	143.7
[M+K]+	236.89817	127.8
[M+H-H2O]+	180.93227	125.1
[M+HCOO]-	242.93321	141.6
[M+CH3COO]-	256.94886	180.5
[M+Na-2H]-	218.90968	132.2
[M]+	197.93446	146.8
[M]-	197.93556	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.