CID 14755364

6-bromo-2,2-dimethylchroman-4-one

Structural Information

Molecular Formula

C₁₁H₁₁BrO₂

SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2)Br)C

InChI

InChI=1S/C11H11BrO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6H2,1-2H3

InChIKey

KMLKUNVLSWKFLA-UHFFFAOYSA-N

Compound name

6-bromo-2,2-dimethyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 253.99425 Da
Monoisotopic Mass: 2.7
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]+	255.00153	144.8
[M+Na]+	276.98347	149.4
[M+NH4]+	272.02807	151.8
[M+K]+	292.95741	147.4
[M-H]-	252.98697	147.3
[M+Na-2H]-	274.96892	148.8
[M]+	253.99370	145.3
[M]-	253.99480	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe