CID 746326

137460-60-7

Structural Information

Molecular Formula

C₁₈H₁₄O₅

SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=CC=C3

InChI

InChI=1S/C18H14O5/c1-11-18(23-13-6-4-3-5-7-13)17(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3

InChIKey

GSHNBUJWHGCPFS-UHFFFAOYSA-N

Compound name

(2-methyl-4-oxo-3-phenoxychromen-7-yl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3
Patents: 310.08414 Da
Monoisotopic Mass: 3.3
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]+	311.091416	167.8
[M+Na]+	333.073358	177.7
[M-H]-	309.076864	177.1
[M+NH4]+	328.117963	182.3
[M+K]+	349.047298	176.0
[M+H-H2O]+	293.081400	159.4
[M+HCOO]-	355.082341	190.0
[M+CH3COO]-	369.097991	205.8
[M+Na-2H]-	331.058806	173.7
[M]+	310.08359142	174.2
[M]-	310.08468858	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe