CID 13410806

Cyclopropyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₅F₃O₃S

SMILES

C1CC1OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3O3S/c5-4(6,7)11(8,9)10-3-1-2-3/h3H,1-2H2

InChIKey

HPINOIDASKKAQT-UHFFFAOYSA-N

Compound name

cyclopropyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 189.99115 Da
Monoisotopic Mass: 1.4
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]+	190.99843	126.2
[M+Na]+	212.98037	136.6
[M-H]-	188.98387	127.4
[M+NH4]+	208.02497	141.2
[M+K]+	228.95431	134.2
[M+H-H2O]+	172.98841	118.4
[M+HCOO]-	234.98935	140.6
[M+CH3COO]-	249.00500	179.5
[M+Na-2H]-	210.96582	131.5
[M]+	189.99060	128.1
[M]-	189.99170	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe