CID 10923169

2-bromoethyl trifluoromethanesulphonate

Structural Information

Molecular Formula

C₃H₄BrF₃O₃S

SMILES

C(CBr)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H4BrF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2

InChIKey

KENPFZUYYWVXNW-UHFFFAOYSA-N

Compound name

2-bromoethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 320
Patents: 255.90166 Da
Monoisotopic Mass: 1.6
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]+	256.90894	134.3
[M+Na]+	278.89088	147.5
[M-H]-	254.89438	134.4
[M+NH4]+	273.93548	155.4
[M+K]+	294.86482	136.5
[M+H-H2O]+	238.89892	133.2
[M+HCOO]-	300.89986	146.7
[M+CH3COO]-	314.91551	185.0
[M+Na-2H]-	276.87633	140.8
[M]+	255.90111	152.9
[M]-	255.90221	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe