CID 104306

52736-14-8

Structural Information

Molecular Formula

C₂₄H₂₇O₄P

SMILES

CCC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)CC)OC3=CC=CC(=C3)CC

InChI

InChI=1S/C24H27O4P/c1-4-19-10-7-13-22(16-19)26-29(25,27-23-14-8-11-20(5-2)17-23)28-24-15-9-12-21(6-3)18-24/h7-18H,4-6H2,1-3H3

InChIKey

QZWWNNQRBSJVLL-UHFFFAOYSA-N

Compound name

tris(3-ethylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 48
Patents: 410.1647 Da
Monoisotopic Mass: 7.4
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]+	411.171976	203.0
[M+Na]+	433.153918	208.4
[M-H]-	409.157424	210.9
[M+NH4]+	428.198523	213.4
[M+K]+	449.127858	204.4
[M+H-H2O]+	393.161960	190.1
[M+HCOO]-	455.162901	229.1
[M+CH3COO]-	469.178551	226.0
[M+Na-2H]-	431.139366	202.4
[M]+	410.16415142	208.8
[M]-	410.16524858	208.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe