CID 12778439

Methanesulfonic acid, trifluoro-, oxiranylmethyl ester

Structural Information

Molecular Formula

C₄H₅F₃O₄S

SMILES

C1C(O1)COS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3O4S/c5-4(6,7)12(8,9)11-2-3-1-10-3/h3H,1-2H2

InChIKey

IBFRBNCRKBAISE-UHFFFAOYSA-N

Compound name

oxiran-2-ylmethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 205.98607 Da
Monoisotopic Mass: 0.6
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]+	206.99335	129.0
[M+Na]+	228.97529	139.4
[M-H]-	204.97879	130.8
[M+NH4]+	224.01989	142.2
[M+K]+	244.94923	138.4
[M+H-H2O]+	188.98333	120.9
[M+HCOO]-	250.98427	142.8
[M+CH3COO]-	264.99992	181.5
[M+Na-2H]-	226.96074	135.5
[M]+	205.98552	132.9
[M]-	205.98662	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe