CID 16205480

84434-11-7

Structural Information

Molecular Formula

C₁₈H₂₁O₃P

SMILES

CCOP(=O)(C1=CC=CC=C1)C(=O)C2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C18H21O3P/c1-5-21-22(20,16-9-7-6-8-10-16)18(19)17-14(3)11-13(2)12-15(17)4/h6-12H,5H2,1-4H3

InChIKey

ZMDDERVSCYEKPQ-UHFFFAOYSA-N

Compound name

[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12762
Patents: 316.12283 Da
Monoisotopic Mass: 3.9
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]+	317.13011	175.2
[M+Na]+	339.11205	182.6
[M-H]-	315.11555	181.0
[M+NH4]+	334.15665	190.4
[M+K]+	355.08599	179.5
[M+H-H2O]+	299.12009	165.4
[M+HCOO]-	361.12103	201.6
[M+CH3COO]-	375.13668	210.1
[M+Na-2H]-	337.09750	174.7
[M]+	316.12228	179.8
[M]-	316.12338	179.8

Literature stripe

literature stripe

Patent stripe

patents stripe