CID 200625

2373-43-5

Structural Information

Molecular Formula

C₁₀H₁₄ClO₃P

SMILES

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

InChI

InChI=1S/C10H14ClO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

UMDFLKHMFHZJRR-UHFFFAOYSA-N

Compound name

1-chloro-4-diethoxyphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 248.03691 Da
Monoisotopic Mass: 2.4
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]+	249.04419	152.2
[M+Na]+	271.02613	161.2
[M-H]-	247.02963	155.1
[M+NH4]+	266.07073	171.4
[M+K]+	287.00007	158.2
[M+H-H2O]+	231.03417	145.2
[M+HCOO]-	293.03511	176.4
[M+CH3COO]-	307.05076	191.9
[M+Na-2H]-	269.01158	156.0
[M]+	248.03636	159.6
[M]-	248.03746	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe