CID 65008218

1-(bromomethyl)-1-(methanesulfonylmethyl)cyclopropane

Structural Information

Molecular Formula

C₆H₁₁BrO₂S

SMILES

CS(=O)(=O)CC1(CC1)CBr

InChI

InChI=1S/C6H11BrO2S/c1-10(8,9)5-6(4-7)2-3-6/h2-5H2,1H3

InChIKey

SXXUNLPFKDPLRC-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-1-(methylsulfonylmethyl)cyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 225.96631 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]+	226.973586	131.8
[M+Na]+	248.955528	145.7
[M-H]-	224.959034	139.4
[M+NH4]+	244.000133	151.5
[M+K]+	264.929468	135.0
[M+H-H2O]+	208.963570	133.3
[M+HCOO]-	270.964511	147.7
[M+CH3COO]-	284.980161	185.4
[M+Na-2H]-	246.940976	139.8
[M]+	225.96576142	155.2
[M]-	225.96685858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe