CID 9904141

95235-30-6

Structural Information

Molecular Formula
C15H16O4S
SMILES
CC(C)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O4S/c1-11(2)19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h3-11,16H,1-2H3
InChIKey
ZTILAOCGFRDHBH-UHFFFAOYSA-N
Compound name
4-(4-propan-2-yloxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

4407
Patents

292.07693 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08421 164.4
[M+Na]+ 315.06615 177.2
[M+NH4]+ 310.11075 171.6
[M+K]+ 331.04009 169.8
[M-H]- 291.06965 166.9
[M+Na-2H]- 313.05160 171.7
[M]+ 292.07638 167.4
[M]- 292.07748 167.4
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