CID 3706987

Tetraethylene glycol ditosylate

Structural Information

Molecular Formula
C22H30O9S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C22H30O9S2/c1-19-3-7-21(8-4-19)32(23,24)30-17-15-28-13-11-27-12-14-29-16-18-31-33(25,26)22-9-5-20(2)6-10-22/h3-10H,11-18H2,1-2H3
InChIKey
SLAONPBUWDUSSO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

421
Patents

502.13312 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.14040 216.6
[M+Na]+ 525.12234 220.2
[M-H]- 501.12584 221.2
[M+NH4]+ 520.16694 222.9
[M+K]+ 541.09628 216.5
[M+H-H2O]+ 485.13038 207.0
[M+HCOO]- 547.13132 227.1
[M+CH3COO]- 561.14697 231.9
[M+Na-2H]- 523.10779 219.3
[M]+ 502.13257 230.1
[M]- 502.13367 230.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe