CID 13296770

Bromo(methanesulfonyl)methane

Structural Information

Molecular Formula

C₂H₅BrO₂S

SMILES

CS(=O)(=O)CBr

InChI

InChI=1S/C2H5BrO2S/c1-6(4,5)2-3/h2H2,1H3

InChIKey

ORVHFQDFCYNSQR-UHFFFAOYSA-N

Compound name

bromo(methylsulfonyl)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 171.91936 Da
Monoisotopic Mass: 0.5
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]+	172.92664	115.8
[M+Na]+	194.90858	129.4
[M-H]-	170.91208	120.0
[M+NH4]+	189.95318	140.4
[M+K]+	210.88252	119.1
[M+H-H2O]+	154.91662	117.6
[M+HCOO]-	216.91756	132.7
[M+CH3COO]-	230.93321	172.8
[M+Na-2H]-	192.89403	123.9
[M]+	171.91881	137.0
[M]-	171.91991	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe