CID 18018

Entsufon sodium

Structural Information

Molecular Formula
C20H34O6S
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCS(=O)(=O)O
InChI
InChI=1S/C20H34O6S/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)26-13-12-24-10-11-25-14-15-27(21,22)23/h6-9H,10-16H2,1-5H3,(H,21,22,23)
InChIKey
QKTHVODRSZLVBH-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2850
Patents

402.2076 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21488 198.6
[M+Na]+ 425.19682 205.5
[M+NH4]+ 420.24142 202.1
[M+K]+ 441.17076 200.2
[M-H]- 401.20032 195.7
[M+Na-2H]- 423.18227 200.0
[M]+ 402.20705 199.1
[M]- 402.20815 199.1
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

patents stripe