CID 96042

2-bromoethyl methanesulfonate

Structural Information

Molecular Formula

C₃H₇BrO₃S

SMILES

CS(=O)(=O)OCCBr

InChI

InChI=1S/C3H7BrO3S/c1-8(5,6)7-3-2-4/h2-3H2,1H3

InChIKey

ZUAJICINWDWGQN-UHFFFAOYSA-N

Compound name

2-bromoethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 201.92993 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]+	202.93721	123.2
[M+Na]+	224.91915	136.1
[M-H]-	200.92265	127.1
[M+NH4]+	219.96375	146.6
[M+K]+	240.89309	126.0
[M+H-H2O]+	184.92719	124.5
[M+HCOO]-	246.92813	140.0
[M+CH3COO]-	260.94378	177.5
[M+Na-2H]-	222.90460	130.8
[M]+	201.92938	146.0
[M]-	201.93048	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe