CID 59015856

Methyl 6-bromo-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₇BrO₃

SMILES

COC(=O)C1=CC2=C(O1)C=C(C=C2)Br

InChI

InChI=1S/C10H7BrO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3

InChIKey

SWFWGZFCUROKBN-UHFFFAOYSA-N

Compound name

methyl 6-bromo-1-benzofuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 253.95786 Da
Monoisotopic Mass: 3.2
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]+	254.96514	144.6
[M+Na]+	276.94708	148.8
[M+NH4]+	271.99168	149.6
[M+K]+	292.92102	150.7
[M-H]-	252.95058	146.0
[M+Na-2H]-	274.93253	147.3
[M]+	253.95731	144.4
[M]-	253.95841	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe