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: 73
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	139.6
[M+Na]+	246.94529	150.4
[M-H]-	222.94879	142.4
[M+NH4]+	241.98989	160.2
[M+K]+	262.91923	146.0
[M+H-H2O]+	206.95333	134.2
[M+HCOO]-	268.95427	159.4
[M+CH3COO]-	282.96992	185.5
[M+Na-2H]-	244.93074	144.2
[M]+	223.95552	145.4
[M]-	223.95662	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe