PubChemLite - 144909-39-7 (C20H22Cl2O10S2)

Structural Information

Molecular Formula

SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)Cl)OCCOCCOC3=C(C=CC(=C3)S(=O)(=O)Cl)OCCO1

InChI

InChI=1S/C20H22Cl2O10S2/c21-33(23,24)15-1-3-17-19(13-15)31-11-7-28-8-12-32-20-14-16(34(22,25)26)2-4-18(20)30-10-6-27-5-9-29-17/h1-4,13-14H,5-12H2

InChIKey

KZMYFLPILKADNK-UHFFFAOYSA-N

Compound name

2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,25-disulfonyl chloride

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]+	557.01048	208.1
[M+Na]+	578.99242	214.4
[M-H]-	554.99592	216.4
[M+NH4]+	574.03702	206.4
[M+K]+	594.96636	219.8
[M+H-H2O]+	539.00046	210.1
[M+HCOO]-	601.00140	200.4
[M+CH3COO]-	615.01705	214.5
[M+Na-2H]-	576.97787	216.4
[M]+	556.00265	213.9
[M]-	556.00375	213.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.01048

208.1

[M+Na]+

578.99242

214.4

[M-H]-

554.99592

216.4

[M+NH4]+

574.03702

206.4

[M+K]+

594.96636

219.8

[M+H-H2O]+

539.00046

210.1

[M+HCOO]-

601.00140

200.4

[M+CH3COO]-

615.01705

214.5

[M+Na-2H]-

576.97787

216.4

[M]+

556.00265

213.9

[M]-

556.00375

213.9

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

144909-39-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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