CID 5219346

16081-71-3

Structural Information

Molecular Formula

SMILES

C1COC2=C(C=C(C=C2O1)Br)C(=O)O

InChI

InChI=1S/C9H7BrO4/c10-5-3-6(9(11)12)8-7(4-5)13-1-2-14-8/h3-4H,1-2H2,(H,11,12)

InChIKey

GDFMTYVYQCKKOE-UHFFFAOYSA-N

Compound name

7-bromo-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 257.95276 Da
Monoisotopic Mass: 1.9
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]+	258.96004	142.3
[M+Na]+	280.94198	145.5
[M+NH4]+	275.98658	146.7
[M+K]+	296.91592	147.4
[M-H]-	256.94548	144.4
[M+Na-2H]-	278.92743	143.6
[M]+	257.95221	142.1
[M]-	257.95331	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe