CID 165409

Diethyl 4-cyano-phenyl phosphate

Structural Information

Molecular Formula

C₁₁H₁₄NO₄P

SMILES

CCOP(=O)(OCC)OC1=CC=C(C=C1)C#N

InChI

InChI=1S/C11H14NO4P/c1-3-14-17(13,15-4-2)16-11-7-5-10(9-12)6-8-11/h5-8H,3-4H2,1-2H3

InChIKey

PHEAVLINHUOYPR-UHFFFAOYSA-N

Compound name

(4-cyanophenyl) diethyl phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 255.06604 Da
Monoisotopic Mass: 2.0
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]+	256.07332	151.0
[M+Na]+	278.05526	160.3
[M-H]-	254.05876	153.2
[M+NH4]+	273.09986	166.8
[M+K]+	294.02920	158.9
[M+H-H2O]+	238.06330	136.5
[M+HCOO]-	300.06424	175.6
[M+CH3COO]-	314.07989	205.3
[M+Na-2H]-	276.04071	154.9
[M]+	255.06549	152.2
[M]-	255.06659	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe