CID 6535

Triethyl phosphate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

CCOP(=O)(OCC)OCC

InChI

InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3

InChIKey

DQWPFSLDHJDLRL-UHFFFAOYSA-N

Compound name

triethyl phosphate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 81
References: 93613
Patents: 182.0708 Da
Monoisotopic Mass: 0.8
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]+	183.078076	140.6
[M+Na]+	205.060018	148.0
[M-H]-	181.063524	139.8
[M+NH4]+	200.104623	161.4
[M+K]+	221.033958	149.3
[M+H-H2O]+	165.068060	133.9
[M+HCOO]-	227.069001	169.2
[M+CH3COO]-	241.084651	181.6
[M+Na-2H]-	203.045466	145.0
[M]+	182.07025142	148.3
[M]-	182.07134858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe