CID 13077890

72305-24-9

Structural Information

Molecular Formula

C₇H₃Cl₃O₂

SMILES

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

InChI

InChI=1S/C7H3Cl3O2/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3H

InChIKey

ZDTLCBPNKGXDMA-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 223.91986 Da
Monoisotopic Mass: 4.0
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]+	224.92714	135.8
[M+Na]+	246.90908	146.9
[M-H]-	222.91258	138.4
[M+NH4]+	241.95368	155.6
[M+K]+	262.88302	142.1
[M+H-H2O]+	206.91712	133.3
[M+HCOO]-	268.91806	145.6
[M+CH3COO]-	282.93371	185.2
[M+Na-2H]-	244.89453	140.4
[M]+	223.91931	140.2
[M]-	223.92041	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe