CID 338523

87627-17-6

Structural Information

Molecular Formula

C₁₇H₁₂O₄

SMILES

C1=CC=C(C=C1)C2=COC3=C(C=CC=C3C2=O)CC(=O)O

InChI

InChI=1S/C17H12O4/c18-15(19)9-12-7-4-8-13-16(20)14(10-21-17(12)13)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,18,19)

InChIKey

FMQFDPXKSNAJLI-UHFFFAOYSA-N

Compound name

2-(4-oxo-3-phenylchromen-8-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.07355 Da
Monoisotopic Mass: 2.6
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]+	281.080826	160.3
[M+Na]+	303.062768	169.4
[M-H]-	279.066274	168.0
[M+NH4]+	298.107373	175.1
[M+K]+	319.036708	166.2
[M+H-H2O]+	263.070810	152.5
[M+HCOO]-	325.071751	181.2
[M+CH3COO]-	339.087401	197.7
[M+Na-2H]-	301.048216	166.9
[M]+	280.07300142	162.8
[M]-	280.07409858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe