CID 85816085

40630-68-0

Structural Information

Molecular Formula

C₇H₈F₉NO₃S

SMILES

COCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H8F9NO3S/c1-20-3-2-17-21(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h17H,2-3H2,1H3

InChIKey

CHVVZRWVLRCPLZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 357.00812 Da
Monoisotopic Mass: 2.4
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]+	358.015396	162.6
[M+Na]+	379.997338	170.2
[M-H]-	356.000844	151.8
[M+NH4]+	375.041943	174.6
[M+K]+	395.971278	167.5
[M+H-H2O]+	340.005380	150.7
[M+HCOO]-	402.006321	165.6
[M+CH3COO]-	416.021971	210.4
[M+Na-2H]-	377.982786	166.5
[M]+	357.00757142	153.0
[M]-	357.00866858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe