CID 125498344

Dtxsid60896007

Structural Information

Molecular Formula

C₈H₆F₁₃NO₂S

SMILES

CN(C)S(=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/c1-22(2)25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h1-2H3

InChIKey

XXWVQQPYWSIJGT-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-dimethylhexane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 426.99118 Da
Monoisotopic Mass: 4.1
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]+	427.998456	173.4
[M+Na]+	449.980398	181.5
[M-H]-	425.983904	169.5
[M+NH4]+	445.025003	173.2
[M+K]+	465.954338	179.3
[M+H-H2O]+	409.988440	159.1
[M+HCOO]-	471.989381	182.7
[M+CH3COO]-	486.005031	226.7
[M+Na-2H]-	447.965846	176.6
[M]+	426.99063142	164.3
[M]-	426.99172858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe