CID 9923313

81639-99-8

Structural Information

Molecular Formula

C₁₆H₁₈ClO₃P

SMILES

CC1=C(C(=CC=C1)C)OP(=O)(OC2=C(C=CC=C2C)C)Cl

InChI

InChI=1S/C16H18ClO3P/c1-11-7-5-8-12(2)15(11)19-21(17,18)20-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3

InChIKey

WXCXJSOCIOHPLT-UHFFFAOYSA-N

Compound name

2-[chloro-(2,6-dimethylphenoxy)phosphoryl]oxy-1,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 166
Patents: 324.0682 Da
Monoisotopic Mass: 5.3
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]+	325.07548	172.1
[M+Na]+	347.05742	182.3
[M-H]-	323.06092	178.7
[M+NH4]+	342.10202	188.6
[M+K]+	363.03136	178.0
[M+H-H2O]+	307.06546	163.5
[M+HCOO]-	369.06640	195.6
[M+CH3COO]-	383.08205	209.1
[M+Na-2H]-	345.04287	173.0
[M]+	324.06765	180.1
[M]-	324.06875	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe