CID 466289

6ch7vvc67l

Structural Information

Molecular Formula

C₁₆H₁₁IO₃

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)I

InChI

InChI=1S/C16H11IO3/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9H,1H3

InChIKey

BYDBCAPACOXVEH-UHFFFAOYSA-N

Compound name

6-iodo-2-(4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7
Patents: 377.97528 Da
Monoisotopic Mass: 4.2
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]+	378.98256	166.2
[M+Na]+	400.96450	169.6
[M-H]-	376.96800	167.6
[M+NH4]+	396.00910	177.6
[M+K]+	416.93844	172.5
[M+H-H2O]+	360.97254	154.6
[M+HCOO]-	422.97348	183.9
[M+CH3COO]-	436.98913	175.2
[M+Na-2H]-	398.94995	161.8
[M]+	377.97473	167.3
[M]-	377.97583	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe