CID 493377

Oprea1_356259

Structural Information

Molecular Formula

C₁₆H₁₀O₄

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C16H10O4/c17-13-9-15(10-4-2-1-3-5-10)20-14-7-6-11(16(18)19)8-12(13)14/h1-9H,(H,18,19)

InChIKey

ZWQMQNRKCRVLHW-UHFFFAOYSA-N

Compound name

4-oxo-2-phenylchromene-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 266.05792 Da
Monoisotopic Mass: 3.5
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]+	267.06520	155.5
[M+Na]+	289.04714	165.1
[M-H]-	265.05064	163.4
[M+NH4]+	284.09174	170.9
[M+K]+	305.02108	162.1
[M+H-H2O]+	249.05518	148.0
[M+HCOO]-	311.05612	176.7
[M+CH3COO]-	325.07177	168.5
[M+Na-2H]-	287.03259	162.7
[M]+	266.05737	157.7
[M]-	266.05847	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe