CID 100525

2-chloroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₃H₄ClF₃O₃S

SMILES

C(CCl)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C3H4ClF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2

InChIKey

OJEPTKFBWNNVHK-UHFFFAOYSA-N

Compound name

2-chloroethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 211.95218 Da
Monoisotopic Mass: 1.4
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]+	212.95946	130.4
[M+Na]+	234.94140	140.5
[M-H]-	210.94490	127.7
[M+NH4]+	229.98600	150.4
[M+K]+	250.91534	137.7
[M+H-H2O]+	194.94944	124.9
[M+HCOO]-	256.95038	140.2
[M+CH3COO]-	270.96603	178.4
[M+Na-2H]-	232.92685	135.2
[M]+	211.95163	132.5
[M]-	211.95273	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe