CID 12165534

2-fluoro-2-methylpropyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₅H₈F₄O₃S

SMILES

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

InChI

InChI=1S/C5H8F4O3S/c1-4(2,6)3-12-13(10,11)5(7,8)9/h3H2,1-2H3

InChIKey

OJFXAMILNHYNSV-UHFFFAOYSA-N

Compound name

(2-fluoro-2-methylpropyl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 366
Patents: 224.01303 Da
Monoisotopic Mass: 1.8
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]+	225.02031	138.0
[M+Na]+	247.00225	147.0
[M-H]-	223.00575	133.7
[M+NH4]+	242.04685	156.6
[M+K]+	262.97619	145.7
[M+H-H2O]+	207.01029	130.7
[M+HCOO]-	269.01123	149.0
[M+CH3COO]-	283.02688	184.0
[M+Na-2H]-	244.98770	142.5
[M]+	224.01248	137.1
[M]-	224.01358	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe