CID 78759

5076-63-1

Structural Information

Molecular Formula

C₁₀H₁₄ClO₄P

SMILES

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

InChI

InChI=1S/C10H14ClO4P/c1-3-13-16(12,14-4-2)15-10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

LBGVKIMCKGXEEF-UHFFFAOYSA-N

Compound name

(4-chlorophenyl) diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 264.03183 Da
Monoisotopic Mass: 2.9
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]+	265.03911	154.6
[M+Na]+	287.02105	163.4
[M-H]-	263.02455	157.4
[M+NH4]+	282.06565	173.0
[M+K]+	302.99499	161.0
[M+H-H2O]+	247.02909	147.3
[M+HCOO]-	309.03003	179.0
[M+CH3COO]-	323.04568	193.9
[M+Na-2H]-	285.00650	158.5
[M]+	264.03128	163.4
[M]-	264.03238	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe