CID 12576037

34454-99-4

Structural Information

Molecular Formula

C₆H₆F₉NO₃S

SMILES

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

InChI

InChI=1S/C6H6F9NO3S/c7-3(8,5(11,12)13)4(9,10)6(14,15)20(18,19)16-1-2-17/h16-17H,1-2H2

InChIKey

ASJXVGSUYQIIBC-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 106
Patents: 342.99246 Da
Monoisotopic Mass: 1.9
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]+	343.99974	157.7
[M+Na]+	365.98168	165.2
[M-H]-	341.98518	145.6
[M+NH4]+	361.02628	169.4
[M+K]+	381.95562	161.9
[M+H-H2O]+	325.98972	146.2
[M+HCOO]-	387.99066	159.5
[M+CH3COO]-	402.00631	205.1
[M+Na-2H]-	363.96713	161.7
[M]+	342.99191	145.9
[M]-	342.99301	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe