CID 2777825

Chloromethyl (4-chlorophenyl) carbonate

Structural Information

Molecular Formula

C₈H₆Cl₂O₃

SMILES

C1=CC(=CC=C1OC(=O)OCCl)Cl

InChI

InChI=1S/C8H6Cl2O3/c9-5-12-8(11)13-7-3-1-6(10)2-4-7/h1-4H,5H2

InChIKey

SYPJPQUKKYSYEQ-UHFFFAOYSA-N

Compound name

chloromethyl (4-chlorophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.9694 Da
Monoisotopic Mass: 3.4
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]+	220.97668	137.9
[M+Na]+	242.95862	147.9
[M-H]-	218.96212	141.4
[M+NH4]+	238.00322	157.8
[M+K]+	258.93256	144.3
[M+H-H2O]+	202.96666	134.1
[M+HCOO]-	264.96760	153.2
[M+CH3COO]-	278.98325	182.7
[M+Na-2H]-	240.94407	143.7
[M]+	219.96885	143.7
[M]-	219.96995	143.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.