CID 316652

Triethylene glycol di-p-tosylate

Structural Information

Molecular Formula
C20H26O8S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
InChIKey
KCONMNWPRXAWKK-UHFFFAOYSA-N
Compound name
2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

483
Patents

458.1069 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11418 206.0
[M+Na]+ 481.09612 211.0
[M-H]- 457.09962 211.2
[M+NH4]+ 476.14072 214.3
[M+K]+ 497.07006 206.9
[M+H-H2O]+ 441.10416 197.1
[M+HCOO]- 503.10510 217.0
[M+CH3COO]- 517.12075 224.2
[M+Na-2H]- 479.08157 209.0
[M]+ 458.10635 217.6
[M]- 458.10745 217.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.