CID 13456094

77544-60-6

Structural Information

Molecular Formula
C15H24O7S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3
InChIKey
FGDJUEZBMFELRW-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

477
Patents

348.12427 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13155 178.4
[M+Na]+ 371.11349 183.3
[M-H]- 347.11699 179.6
[M+NH4]+ 366.15809 191.0
[M+K]+ 387.08743 181.1
[M+H-H2O]+ 331.12153 170.9
[M+HCOO]- 393.12247 194.5
[M+CH3COO]- 407.13812 204.8
[M+Na-2H]- 369.09894 180.9
[M]+ 348.12372 189.1
[M]- 348.12482 189.1
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.