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: 384
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	135.8
[M+Na]+	246.90908	148.0
[M-H]-	222.91258	138.6
[M+NH4]+	241.95368	155.9
[M+K]+	262.88302	142.8
[M+H-H2O]+	206.91712	133.4
[M+HCOO]-	268.91806	146.5
[M+CH3COO]-	282.93371	186.2
[M+Na-2H]-	244.89453	140.8
[M]+	223.91931	141.1
[M]-	223.92041	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe