CID 512117

72304-73-5

Structural Information

Molecular Formula

C₉H₉Cl₂O₅P

SMILES

COP(=O)(C(=O)OC1=CC(=C(C=C1)Cl)Cl)OC

InChI

InChI=1S/C9H9Cl2O5P/c1-14-17(13,15-2)9(12)16-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3

InChIKey

DKXJJTRYBPUAGO-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl) dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 297.95645 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]+	298.96373	152.3
[M+Na]+	320.94567	162.9
[M-H]-	296.94917	155.6
[M+NH4]+	315.99027	170.1
[M+K]+	336.91961	160.0
[M+H-H2O]+	280.95371	146.7
[M+HCOO]-	342.95465	171.7
[M+CH3COO]-	356.97030	197.9
[M+Na-2H]-	318.93112	155.2
[M]+	297.95590	162.4
[M]-	297.95700	162.4

Literature stripe

literature stripe

Patent stripe

patents stripe