CID 10893487

35717-98-7

Structural Information

Molecular Formula

C₁₄H₂₃O₆PS

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C14H23O6PS/c1-11(2)19-21(15,20-12(3)4)10-18-22(16,17)14-8-6-13(5)7-9-14/h6-9,11-12H,10H2,1-5H3

InChIKey

ZAAQMNVHSKISRP-UHFFFAOYSA-N

Compound name

di(propan-2-yloxy)phosphorylmethyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 350.0953 Da
Monoisotopic Mass: 2.5
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]+	351.10258	176.5
[M+Na]+	373.08452	184.0
[M+NH4]+	368.12912	180.5
[M+K]+	389.05846	180.4
[M-H]-	349.08802	173.9
[M+Na-2H]-	371.06997	178.5
[M]+	350.09475	177.0
[M]-	350.09585	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe