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

589
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

literature stripe

Patent stripe

patents stripe