CID 91079943

2-fluoropropyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₆F₄O₃S

SMILES

CC(COS(=O)(=O)C(F)(F)F)F

InChI

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

InChIKey

NXQZTJSQOZFPLK-UHFFFAOYSA-N

Compound name

2-fluoropropyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
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	151.2
[M+Na]+	232.98660	155.6
[M+NH4]+	228.03120	154.2
[M+K]+	248.96054	151.7
[M-H]-	208.99010	143.1
[M+Na-2H]-	230.97205	150.0
[M]+	209.99683	149.4
[M]-	209.99793	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe