PubChemLite - Hexaethylene glycol di-p-toluenesulfonate (C26H38O11S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H38O11S2/c1-23-3-7-25(8-4-23)38(27,28)36-21-19-34-17-15-32-13-11-31-12-14-33-16-18-35-20-22-37-39(29,30)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3

InChIKey

ZIZXHPCBPDNLDD-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

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]+	591.19283	236.4
[M+Na]+	613.17477	237.0
[M-H]-	589.17827	239.9
[M+NH4]+	608.21937	238.6
[M+K]+	629.14871	234.3
[M+H-H2O]+	573.18281	225.6
[M+HCOO]-	635.18375	245.9
[M+CH3COO]-	649.19940	247.0
[M+Na-2H]-	611.16022	238.9
[M]+	590.18500	253.7
[M]-	590.18610	253.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

591.19283

236.4

[M+Na]+

613.17477

237.0

[M-H]-

589.17827

239.9

[M+NH4]+

608.21937

238.6

[M+K]+

629.14871

234.3

[M+H-H2O]+

573.18281

225.6

[M+HCOO]-

635.18375

245.9

[M+CH3COO]-

649.19940

247.0

[M+Na-2H]-

611.16022

238.9

[M]+

590.18500

253.7

[M]-

590.18610

253.7

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

Hexaethylene glycol di-p-toluenesulfonate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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