CID 12599150

1,1-difluoroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₃H₃F₅O₃S

SMILES

CC(OS(=O)(=O)C(F)(F)F)(F)F

InChI

InChI=1S/C3H3F5O3S/c1-2(4,5)11-12(9,10)3(6,7)8/h1H3

InChIKey

GNUKVRQUVNUSHQ-UHFFFAOYSA-N

Compound name

1,1-difluoroethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 213.9723 Da
Monoisotopic Mass: 2.0
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]+	214.97958	131.2
[M+Na]+	236.96152	141.0
[M-H]-	212.96502	125.8
[M+NH4]+	232.00612	150.0
[M+K]+	252.93546	139.8
[M+H-H2O]+	196.96956	123.3
[M+HCOO]-	258.97050	141.7
[M+CH3COO]-	272.98615	181.0
[M+Na-2H]-	234.94697	136.1
[M]+	213.97175	128.2
[M]-	213.97285	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe