CID 118688

1-butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methyl-

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

4
Annotation Hits: 2
References: 453
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]+	358.015396	161.0
[M+Na]+	379.997338	168.4
[M-H]-	356.000844	150.2
[M+NH4]+	375.041943	172.9
[M+K]+	395.971278	166.2
[M+H-H2O]+	340.005380	149.3
[M+HCOO]-	402.006321	163.1
[M+CH3COO]-	416.021971	211.1
[M+Na-2H]-	377.982786	164.1
[M]+	357.00757142	150.8
[M]-	357.00866858	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe