CID 10880291

65832-21-5

Structural Information

Molecular Formula

C₈H₉F₃O₅S

SMILES

COC(=O)C1=C(CCC1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H9F3O5S/c1-15-7(12)5-3-2-4-6(5)16-17(13,14)8(9,10)11/h2-4H2,1H3

InChIKey

YXSARWFSYZHULU-UHFFFAOYSA-N

Compound name

methyl 2-(trifluoromethylsulfonyloxy)cyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 119
Patents: 274.01227 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]+	275.01955	151.6
[M+Na]+	297.00149	160.2
[M-H]-	273.00499	151.7
[M+NH4]+	292.04609	169.9
[M+K]+	312.97543	159.0
[M+H-H2O]+	257.00953	144.7
[M+HCOO]-	319.01047	164.9
[M+CH3COO]-	333.02612	189.8
[M+Na-2H]-	294.98694	153.1
[M]+	274.01172	152.9
[M]-	274.01282	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe