CID 323835

Methyl methylphenylphosphinate

Structural Information

Molecular Formula

C₈H₁₁O₂P

SMILES

COP(=O)(C)C1=CC=CC=C1

InChI

InChI=1S/C8H11O2P/c1-10-11(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

RTAAKNLNWIHGGX-UHFFFAOYSA-N

Compound name

[methoxy(methyl)phosphoryl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 170.04967 Da
Monoisotopic Mass: 0.9
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]+	171.05695	136.1
[M+Na]+	193.03889	144.1
[M-H]-	169.04239	138.9
[M+NH4]+	188.08349	157.2
[M+K]+	209.01283	143.2
[M+H-H2O]+	153.04693	128.7
[M+HCOO]-	215.04787	165.2
[M+CH3COO]-	229.06352	178.8
[M+Na-2H]-	191.02434	141.6
[M]+	170.04912	138.9
[M]-	170.05022	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe