CID 199601

2,4,6-trichlorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₂Cl₄O₂

SMILES

C1=C(C=C(C(=C1Cl)OC(=O)Cl)Cl)Cl

InChI

InChI=1S/C7H2Cl4O2/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2H

InChIKey

KUZDOAWPCGDGRN-UHFFFAOYSA-N

Compound name

(2,4,6-trichlorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.8809 Da
Monoisotopic Mass: 4.9
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]+	258.88818	146.8
[M+Na]+	280.87012	161.8
[M+NH4]+	275.91472	155.2
[M+K]+	296.84406	154.1
[M-H]-	256.87362	147.8
[M+Na-2H]-	278.85557	153.2
[M]+	257.88035	150.3
[M]-	257.88145	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe