CID 118688

34454-97-2

Structural Information

Molecular Formula

C₇H₈F₉NO₃S

SMILES

CN(CCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)5(10,11)4(8,9)6(12,13)14/h18H,2-3H2,1H3

InChIKey

DSRUAYIFDCHEEV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 383
Patents: 357.00812 Da
Monoisotopic Mass: 2.1
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]+	358.01540	191.4
[M+Na]+	379.99734	190.9
[M+NH4]+	375.04194	190.1
[M+K]+	395.97128	188.6
[M-H]-	356.00084	182.6
[M+Na-2H]-	377.98279	187.4
[M]+	357.00757	188.6
[M]-	357.00867	188.6

Literature stripe

literature stripe

Patent stripe

patents stripe