CID 14661393

87988-56-5

Structural Information

Molecular Formula

C₈H₆F₁₃NO₂S

SMILES

CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8H6F13NO2S/c1-2-22-25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h22H,2H2,1H3

InChIKey

ZIUMOXWDLICQQC-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 426.99118 Da
Monoisotopic Mass: 4.3
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]+	427.998456	175.1
[M+Na]+	449.980398	183.0
[M-H]-	425.983904	160.7
[M+NH4]+	445.025003	165.9
[M+K]+	465.954338	179.5
[M+H-H2O]+	409.988440	160.8
[M+HCOO]-	471.989381	179.5
[M+CH3COO]-	486.005031	223.7
[M+Na-2H]-	447.965846	178.7
[M]+	426.99063142	157.2
[M]-	426.99172858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe