CID 165652114

2-bromo-2-fluoroethylmethanesulfonate

Structural Information

Molecular Formula

C₃H₆BrFO₃S

SMILES

CS(=O)(=O)OCC(F)Br

InChI

InChI=1S/C3H6BrFO3S/c1-9(6,7)8-2-3(4)5/h3H,2H2,1H3

InChIKey

QIKILFCCLWQMKH-UHFFFAOYSA-N

Compound name

(2-bromo-2-fluoroethyl) methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.92052 Da
Monoisotopic Mass: 0.9
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]+	220.92780	126.6
[M+Na]+	242.90974	139.2
[M-H]-	218.91324	129.2
[M+NH4]+	237.95434	149.1
[M+K]+	258.88368	129.0
[M+H-H2O]+	202.91778	126.9
[M+HCOO]-	264.91872	141.4
[M+CH3COO]-	278.93437	180.8
[M+Na-2H]-	240.89519	132.5
[M]+	219.91997	147.6
[M]-	219.92107	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.