PubChemLite - 149312-24-3 (C15H22Cl4O8Si)

Structural Information

Molecular Formula

SMILES

CC1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[Si](C)(C)C)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl

InChI

InChI=1S/C15H22Cl4O8Si/c1-6-22-5-7-8(23-6)9(25-13(20)11(16)17)10(26-14(21)12(18)19)15(24-7)27-28(2,3)4/h6-12,15H,5H2,1-4H3/t6?,7-,8-,9+,10-,15+/m1/s1

InChIKey

FYZHOEIXWYNNNN-DTWPPQGISA-N

Compound name

[(4aR,6S,7R,8S,8aR)-7-(2,2-dichloroacetyl)oxy-2-methyl-6-trimethylsilyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate

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]+	498.99108	192.4
[M+Na]+	520.97302	196.8
[M-H]-	496.97652	195.4
[M+NH4]+	516.01762	199.2
[M+K]+	536.94696	198.6
[M+H-H2O]+	480.98106	190.5
[M+HCOO]-	542.98200	182.4
[M+CH3COO]-	556.99765	232.0
[M+Na-2H]-	518.95847	190.7
[M]+	497.98325	200.2
[M]-	497.98435	200.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.99108

192.4

[M+Na]+

520.97302

196.8

[M-H]-

496.97652

195.4

[M+NH4]+

516.01762

199.2

[M+K]+

536.94696

198.6

[M+H-H2O]+

480.98106

190.5

[M+HCOO]-

542.98200

182.4

[M+CH3COO]-

556.99765

232.0

[M+Na-2H]-

518.95847

190.7

[M]+

497.98325

200.2

[M]-

497.98435

200.2

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

149312-24-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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