CID 512115

72305-96-5

Structural Information

Molecular Formula

C₁₁H₁₄ClO₅P

SMILES

CCOP(=O)(C(=O)OC1=CC=C(C=C1)Cl)OCC

InChI

InChI=1S/C11H14ClO5P/c1-3-15-18(14,16-4-2)11(13)17-10-7-5-9(12)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

UPNZNUZWFKDCQK-UHFFFAOYSA-N

Compound name

(4-chlorophenyl) diethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 292.02673 Da
Monoisotopic Mass: 2.6
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]+	293.03401	159.7
[M+Na]+	315.01595	168.0
[M-H]-	291.01945	162.5
[M+NH4]+	310.06055	176.8
[M+K]+	330.98989	166.0
[M+H-H2O]+	275.02399	152.3
[M+HCOO]-	337.02493	183.3
[M+CH3COO]-	351.04058	198.2
[M+Na-2H]-	313.00140	162.3
[M]+	292.02618	168.9
[M]-	292.02728	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe