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
3
Annotation Hits

0
References

2853
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 198.2
[M+Na]+ 425.19682 201.9
[M-H]- 401.20032 199.2
[M+NH4]+ 420.24142 209.0
[M+K]+ 441.17076 199.3
[M+H-H2O]+ 385.20486 191.3
[M+HCOO]- 447.20580 209.4
[M+CH3COO]- 461.22145 217.8
[M+Na-2H]- 423.18227 200.8
[M]+ 402.20705 208.2
[M]- 402.20815 208.2
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