CID 216711

4-methoxyphenylphosphonic dichloride

Structural Information

Molecular Formula

C₇H₇Cl₂O₂P

SMILES

COC1=CC=C(C=C1)P(=O)(Cl)Cl

InChI

InChI=1S/C7H7Cl2O2P/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3

InChIKey

LOFIFCKKPQFWSH-UHFFFAOYSA-N

Compound name

1-dichlorophosphoryl-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 71
Patents: 223.95607 Da
Monoisotopic Mass: 2.5
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]+	224.96335	140.5
[M+Na]+	246.94529	154.5
[M+NH4]+	241.98989	149.2
[M+K]+	262.91923	147.8
[M-H]-	222.94879	141.6
[M+Na-2H]-	244.93074	147.7
[M]+	223.95552	143.4
[M]-	223.95662	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe