CID 11379479

8-bromo-6-methyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula

C₁₀H₉BrO₂

SMILES

CC1=CC2=C(C(=C1)Br)OCCC2=O

InChI

InChI=1S/C10H9BrO2/c1-6-4-7-9(12)2-3-13-10(7)8(11)5-6/h4-5H,2-3H2,1H3

InChIKey

UXJVBNRUWGNFAQ-UHFFFAOYSA-N

Compound name

8-bromo-6-methyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 239.97859 Da
Monoisotopic Mass: 2.4
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]+	240.98587	139.7
[M+Na]+	262.96781	144.4
[M+NH4]+	258.01241	145.5
[M+K]+	278.94175	144.1
[M-H]-	238.97131	142.2
[M+Na-2H]-	260.95326	142.7
[M]+	239.97804	140.0
[M]-	239.97914	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe