CID 95071

27205-03-4

Structural Information

Molecular Formula
C16H18O6S
SMILES
C1=CC(=CC=C1OCCO)S(=O)(=O)C2=CC=C(C=C2)OCCO
InChI
InChI=1S/C16H18O6S/c17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2
InChIKey
UTNSTOOXQPHXJQ-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2330
Patents

338.0824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08968 175.5
[M+Na]+ 361.07162 186.8
[M+NH4]+ 356.11622 181.1
[M+K]+ 377.04556 179.8
[M-H]- 337.07512 176.6
[M+Na-2H]- 359.05707 181.4
[M]+ 338.08185 177.7
[M]- 338.08295 177.7
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