CID 65118

4-methylumbelliferyl phosphate

Structural Information

Molecular Formula

C₁₀H₉O₆P

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)O

InChI

InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)

InChIKey

BCHIXGBGRHLSBE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 90
References: 8704
Patents: 256.01367 Da
Monoisotopic Mass: 0.6
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]+	257.02095	150.1
[M+Na]+	279.00289	162.3
[M+NH4]+	274.04749	155.9
[M+K]+	294.97683	159.3
[M-H]-	255.00639	150.6
[M+Na-2H]-	276.98834	153.9
[M]+	256.01312	151.8
[M]-	256.01422	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe