CID 57115456

2098639-00-8

Structural Information

Molecular Formula

C₄H₅F₅O₃S

SMILES

C(C(CF)OS(=O)(=O)C(F)(F)F)F

InChI

InChI=1S/C4H5F5O3S/c5-1-3(2-6)12-13(10,11)4(7,8)9/h3H,1-2H2

InChIKey

UNANSYRDXKYFLZ-UHFFFAOYSA-N

Compound name

1,3-difluoropropan-2-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 227.98796 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]+	228.99524	135.1
[M+Na]+	250.97718	143.9
[M-H]-	226.98068	129.3
[M+NH4]+	246.02178	153.3
[M+K]+	266.95112	142.5
[M+H-H2O]+	210.98522	126.5
[M+HCOO]-	272.98616	145.8
[M+CH3COO]-	287.00181	184.2
[M+Na-2H]-	248.96263	137.5
[M]+	227.98741	132.6
[M]-	227.98851	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe