CID 14178379

Bps-mpe4

Structural Information

Molecular Formula
C19H16O4S
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3O
InChI
InChI=1S/C19H16O4S/c20-18-8-4-5-9-19(18)24(21,22)17-12-10-16(11-13-17)23-14-15-6-2-1-3-7-15/h1-13,20H,14H2
InChIKey
OAHRHEHKTRXORG-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

340.07693 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08421 177.7
[M+Na]+ 363.06615 185.5
[M-H]- 339.06965 186.4
[M+NH4]+ 358.11075 190.3
[M+K]+ 379.04009 179.9
[M+H-H2O]+ 323.07419 169.2
[M+HCOO]- 385.07513 194.8
[M+CH3COO]- 399.09078 203.8
[M+Na-2H]- 361.05160 182.0
[M]+ 340.07638 180.6
[M]- 340.07748 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

No literature data available for this compound.

Patent stripe

patents stripe