PubChemLite - 61660-12-6 (C16H20F17NO5SSi)

Structural Information

Molecular Formula

SMILES

CCN(CCC[Si](OC)(OC)OC)S(=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/C16H20F17NO5SSi/c1-5-34(7-6-8-41(37-2,38-3)39-4)40(35,36)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h5-8H2,1-4H3

InChIKey

BFSVEUJCJYGSKA-UHFFFAOYSA-N

Compound name

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(3-trimethoxysilylpropyl)octane-1-sulfonamide

Related CIDs

2D Structure

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]+	690.06325	207.9
[M+Na]+	712.04519	211.5
[M-H]-	688.04869	218.9
[M+NH4]+	707.08979	222.7
[M+K]+	728.01913	223.4
[M+H-H2O]+	672.05323	195.2
[M+HCOO]-	734.05417	224.7
[M+CH3COO]-	748.06982	264.0
[M+Na-2H]-	710.03064	203.9
[M]+	689.05542	210.4
[M]-	689.05652	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

690.06325

207.9

[M+Na]+

712.04519

211.5

[M-H]-

688.04869

218.9

[M+NH4]+

707.08979

222.7

[M+K]+

728.01913

223.4

[M+H-H2O]+

672.05323

195.2

[M+HCOO]-

734.05417

224.7

[M+CH3COO]-

748.06982

264.0

[M+Na-2H]-

710.03064

203.9

[M]+

689.05542

210.4

[M]-

689.05652

210.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

61660-12-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe