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: 13
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]+	226.97359	128.0
[M+Na]+	248.95553	130.9
[M+NH4]+	244.00013	134.4
[M+K]+	264.92947	130.7
[M-H]-	224.95903	132.9
[M+Na-2H]-	246.94098	133.9
[M]+	225.96576	130.1
[M]-	225.96686	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe