CID 512091

74270-34-1

Structural Information

Molecular Formula

C₇H₅Cl₂O₅P

SMILES

C1=CC(=C(C=C1OC(=O)P(=O)(O)O)Cl)Cl

InChI

InChI=1S/C7H5Cl2O5P/c8-5-2-1-4(3-6(5)9)14-7(10)15(11,12)13/h1-3H,(H2,11,12,13)

InChIKey

MMKWHWAYPNDSPB-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenoxy)carbonylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 269.92517 Da
Monoisotopic Mass: 1.4
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]+	270.93245	144.2
[M+Na]+	292.91439	154.7
[M-H]-	268.91789	145.1
[M+NH4]+	287.95899	161.7
[M+K]+	308.88833	150.6
[M+H-H2O]+	252.92243	139.6
[M+HCOO]-	314.92337	161.2
[M+CH3COO]-	328.93902	187.1
[M+Na-2H]-	290.89984	147.0
[M]+	269.92462	149.7
[M]-	269.92572	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe