CID 171639

Hab 439

Structural Information

Molecular Formula

C₉H₁₀NO₄P

SMILES

C1C(ON=C1C2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C9H10NO4P/c11-15(12,13)9-6-8(10-14-9)7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,11,12,13)

InChIKey

OZIWPUDGOVSJFV-UHFFFAOYSA-N

Compound name

(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 227.03474 Da
Monoisotopic Mass: 0.1
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]+	228.04202	147.6
[M+Na]+	250.02396	154.8
[M-H]-	226.02746	150.1
[M+NH4]+	245.06856	163.6
[M+K]+	265.99790	153.7
[M+H-H2O]+	210.03200	139.0
[M+HCOO]-	272.03294	172.1
[M+CH3COO]-	286.04859	180.7
[M+Na-2H]-	248.00941	151.0
[M]+	227.03419	147.4
[M]-	227.03529	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe