CID 833466

41481-66-7

Structural Information

Molecular Formula
C18H18O4S
SMILES
C=CCC1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)CC=C)O
InChI
InChI=1S/C18H18O4S/c1-3-5-13-11-15(7-9-17(13)19)23(21,22)16-8-10-18(20)14(12-16)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKey
MTMKZABGIQJAEX-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

3765
Patents

330.0926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09988 177.4
[M+Na]+ 353.08182 190.1
[M+NH4]+ 348.12642 183.2
[M+K]+ 369.05576 181.7
[M-H]- 329.08532 179.0
[M+Na-2H]- 351.06727 182.9
[M]+ 330.09205 180.0
[M]- 330.09315 180.0
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