CID 113063

Phenol, 4-[[4-(phenylmethoxy)phenyl]sulfonyl]-

Structural Information

Molecular Formula
C19H16O4S
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2
InChIKey
UWPJWCBDMZHMTN-UHFFFAOYSA-N
Compound name
4-(4-phenylmethoxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1146
Patents

340.07693 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.084206 177.7
[M+Na]+ 363.066148 185.5
[M-H]- 339.069654 186.4
[M+NH4]+ 358.110753 190.3
[M+K]+ 379.040088 179.9
[M+H-H2O]+ 323.074190 169.2
[M+HCOO]- 385.075131 194.8
[M+CH3COO]- 399.090781 203.8
[M+Na-2H]- 361.051596 182.0
[M]+ 340.07638142 180.6
[M]- 340.07747858 180.6
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