CID 74825

2007-97-8

Structural Information

Molecular Formula

C₆H₄Cl₃O₂P

SMILES

C1=CC=C2C(=C1)OP(O2)(Cl)(Cl)Cl

InChI

InChI=1S/C6H4Cl3O2P/c7-12(8,9)10-5-3-1-2-4-6(5)11-12/h1-4H

InChIKey

PHDTZFMTDQJSSW-UHFFFAOYSA-N

Compound name

2,2,2-trichloro-1,3,2lambda5-benzodioxaphosphole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 243.90144 Da
Monoisotopic Mass: 4.1
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]+	244.90872	142.1
[M+Na]+	266.89066	153.2
[M-H]-	242.89416	145.3
[M+NH4]+	261.93526	161.8
[M+K]+	282.86460	150.2
[M+H-H2O]+	226.89870	137.9
[M+HCOO]-	288.89964	154.3
[M+CH3COO]-	302.91529	186.3
[M+Na-2H]-	264.87611	145.9
[M]+	243.90089	147.2
[M]-	243.90199	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe