CID 18995390

Schembl16245138

Structural Information

Molecular Formula

C₁₀H₅F₁₇O₃S

SMILES

CCOS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H5F17O3S/c1-2-30-31(28,29)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h2H2,1H3

InChIKey

UPKHVSOBXKSAKW-UHFFFAOYSA-N

Compound name

ethyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 527.9688 Da
Monoisotopic Mass: 5.9
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]+	528.976076	171.5
[M+Na]+	550.958018	175.4
[M-H]-	526.961524	178.2
[M+NH4]+	546.002623	182.1
[M+K]+	566.931958	184.5
[M+H-H2O]+	510.966060	160.2
[M+HCOO]-	572.967001	192.8
[M+CH3COO]-	586.982651	237.6
[M+Na-2H]-	548.943466	170.2
[M]+	527.96825142	173.8
[M]-	527.96934858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe