CID 53750963

2,4,6-trichlorophenyl formate

Structural Information

Molecular Formula

C₇H₃Cl₃O₂

SMILES

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

InChI

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

InChIKey

YSUDXADDVAYVNS-UHFFFAOYSA-N

Compound name

(2,4,6-trichlorophenyl) formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 366
Patents: 223.91986 Da
Monoisotopic Mass: 3.8
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	137.5
[M+Na]+	246.90908	153.3
[M+NH4]+	241.95368	146.6
[M+K]+	262.88302	145.3
[M-H]-	222.91258	139.3
[M+Na-2H]-	244.89453	144.9
[M]+	223.91931	141.2
[M]-	223.92041	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe