CID 56650009

773109-55-0

Structural Information

Molecular Formula

C₁₁H₇BrO₄

SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C11H7BrO4/c1-5-7-4-6(12)2-3-8(7)16-11(15)9(5)10(13)14/h2-4H,1H3,(H,13,14)

InChIKey

BWBWVUJRXNIUMA-UHFFFAOYSA-N

Compound name

6-bromo-4-methyl-2-oxochromene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 281.95276 Da
Monoisotopic Mass: 2.8
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]+	282.96004	146.2
[M+Na]+	304.94198	151.0
[M+NH4]+	299.98658	150.3
[M+K]+	320.91592	152.1
[M-H]-	280.94548	147.3
[M+Na-2H]-	302.92743	148.6
[M]+	281.95221	146.0
[M]-	281.95331	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe