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: 12
Patents: 340.07693 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe