CID 83310

13288-70-5

Structural Information

Molecular Formula
C16H18O4S
SMILES
CC1=CC(=CC(=C1O)C)S(=O)(=O)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C16H18O4S/c1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3
InChIKey
SUCTVKDVODFXFX-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8318
Patents

306.0926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09988 170.7
[M+Na]+ 329.08182 184.5
[M+NH4]+ 324.12642 177.5
[M+K]+ 345.05576 177.2
[M-H]- 305.08532 173.1
[M+Na-2H]- 327.06727 176.5
[M]+ 306.09205 174.0
[M]- 306.09315 174.0
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