CID 9904141

4-(4-isopropoxyphenylsulfonyl)phenol

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
4
Annotation Hits

5
References

4803
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 163.9
[M+Na]+ 315.06615 171.7
[M-H]- 291.06965 169.8
[M+NH4]+ 310.11075 179.1
[M+K]+ 331.04009 167.9
[M+H-H2O]+ 275.07419 157.1
[M+HCOO]- 337.07513 180.0
[M+CH3COO]- 351.09078 196.5
[M+Na-2H]- 313.05160 166.7
[M]+ 292.07638 167.7
[M]- 292.07748 167.7
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