CID 13725757

16523-02-7

Structural Information

Molecular Formula

C₃H₇BrO₂S

SMILES

CS(=O)(=O)CCBr

InChI

InChI=1S/C3H7BrO2S/c1-7(5,6)3-2-4/h2-3H2,1H3

InChIKey

NIEGKADUBXVLHF-UHFFFAOYSA-N

Compound name

1-bromo-2-methylsulfonylethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 634
Patents: 185.93501 Da
Monoisotopic Mass: 0.4
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]+	186.94229	120.3
[M+Na]+	208.92423	133.5
[M-H]-	184.92773	124.4
[M+NH4]+	203.96883	144.5
[M+K]+	224.89817	123.0
[M+H-H2O]+	168.93227	121.9
[M+HCOO]-	230.93321	137.0
[M+CH3COO]-	244.94886	175.7
[M+Na-2H]-	206.90968	127.9
[M]+	185.93446	141.8
[M]-	185.93556	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe