CID 337239

Trifluoromethyl trifluoromethanesulfonate

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2F6O3S/c3-1(4,5)11-12(9,10)2(6,7)8

InChIKey

GVZFDPPAJXHNGL-UHFFFAOYSA-N

Compound name

trifluoromethyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 511
Patents: 217.94724 Da
Monoisotopic Mass: 2.1
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]+	218.95452	129.2
[M+Na]+	240.93646	139.4
[M-H]-	216.93996	122.7
[M+NH4]+	235.98106	147.7
[M+K]+	256.91040	138.1
[M+H-H2O]+	200.94450	120.5
[M+HCOO]-	262.94544	139.0
[M+CH3COO]-	276.96109	180.3
[M+Na-2H]-	238.92191	134.0
[M]+	217.94669	124.4
[M]-	217.94779	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe