CID 80214

6132-17-8

Structural Information

Molecular Formula

C₁₁H₁₇O₆PS

SMILES

CCOP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C11H17O6PS/c1-4-15-18(12,16-5-2)17-10-6-8-11(9-7-10)19(3,13)14/h6-9H,4-5H2,1-3H3

InChIKey

KUBUBYBFFRVFHD-UHFFFAOYSA-N

Compound name

diethyl (4-methylsulfonylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 308.04834 Da
Monoisotopic Mass: 1.5
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]+	309.05562	165.6
[M+Na]+	331.03756	174.4
[M+NH4]+	326.08216	170.4
[M+K]+	347.01150	169.7
[M-H]-	307.04106	163.5
[M+Na-2H]-	329.02301	168.7
[M]+	308.04779	166.4
[M]-	308.04889	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe