CID 77797

Sulfluramid

Structural Information

Molecular Formula

C₁₀H₆F₁₇NO₂S

SMILES

CCNS(=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/C10H6F17NO2S/c1-2-28-31(29,30)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/h28H,2H2,1H3

InChIKey

CCEKAJIANROZEO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 58
References: 39121
Patents: 526.9848 Da
Monoisotopic Mass: 5.6
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]+	527.992076	171.6
[M+Na]+	549.974018	176.6
[M-H]-	525.977524	179.4
[M+NH4]+	545.018623	180.8
[M+K]+	565.947958	185.0
[M+H-H2O]+	509.982060	159.3
[M+HCOO]-	571.983001	191.4
[M+CH3COO]-	585.998651	240.0
[M+Na-2H]-	547.959466	170.4
[M]+	526.98425142	171.6
[M]-	526.98534858	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe