CID 13477

Coumarin, 7-hydroxy-4-methyl-, diethylphosphate

Structural Information

Molecular Formula

C₁₄H₁₇O₆P

SMILES

CCOP(=O)(OCC)OC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C14H17O6P/c1-4-17-21(16,18-5-2)20-11-6-7-12-10(3)8-14(15)19-13(12)9-11/h6-9H,4-5H2,1-3H3

InChIKey

GHGRYKAFUNNHBG-UHFFFAOYSA-N

Compound name

diethyl (4-methyl-2-oxochromen-7-yl) phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 4
Patents: 312.07626 Da
Monoisotopic Mass: 2.4
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]+	313.08354	168.6
[M+Na]+	335.06548	177.6
[M-H]-	311.06898	173.2
[M+NH4]+	330.11008	183.9
[M+K]+	351.03942	177.8
[M+H-H2O]+	295.07352	159.4
[M+HCOO]-	357.07446	195.4
[M+CH3COO]-	371.09011	205.8
[M+Na-2H]-	333.05093	173.6
[M]+	312.07571	178.6
[M]-	312.07681	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe