CID 87625139

1-fluoropropan-2-yl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₆F₄O₃S

SMILES

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

InChI

InChI=1S/C4H6F4O3S/c1-3(2-5)11-12(9,10)4(6,7)8/h3H,2H2,1H3

InChIKey

SYYSNONLIFFFIZ-UHFFFAOYSA-N

Compound name

1-fluoropropan-2-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 209.99738 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]+	211.00466	132.9
[M+Na]+	232.98660	141.7
[M-H]-	208.99010	128.5
[M+NH4]+	228.03120	151.9
[M+K]+	248.96054	140.6
[M+H-H2O]+	192.99464	125.3
[M+HCOO]-	254.99558	144.6
[M+CH3COO]-	269.01123	181.3
[M+Na-2H]-	230.97205	135.8
[M]+	209.99683	131.6
[M]-	209.99793	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe