CID 88449146

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Structural Information

Molecular Formula

C₄H₆F₅NO₃S

SMILES

C(CO)NS(=O)(=O)C(C(F)(F)F)(F)F

InChI

InChI=1S/C4H6F5NO3S/c5-3(6,7)4(8,9)14(12,13)10-1-2-11/h10-11H,1-2H2

InChIKey

DXDNJIFWNYYWMT-UHFFFAOYSA-N

Compound name

1,1,2,2,2-pentafluoro-N-(2-hydroxyethyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 242.99886 Da
Monoisotopic Mass: 0.5
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]+	244.00614	139.6
[M+Na]+	265.98808	147.5
[M-H]-	241.99158	132.2
[M+NH4]+	261.03268	155.9
[M+K]+	281.96202	144.8
[M+H-H2O]+	225.99612	131.1
[M+HCOO]-	287.99706	149.1
[M+CH3COO]-	302.01271	186.1
[M+Na-2H]-	263.97353	144.0
[M]+	242.99831	134.1
[M]-	242.99941	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe