CID 3358971

5-bromo-7-methoxy-2-benzofurancarboxylic acid

Structural Information

Molecular Formula
C10H7BrO4
SMILES
COC1=C2C(=CC(=C1)Br)C=C(O2)C(=O)O
InChI
InChI=1S/C10H7BrO4/c1-14-7-4-6(11)2-5-3-8(10(12)13)15-9(5)7/h2-4H,1H3,(H,12,13)
InChIKey
OEICZFFUNDGUEF-UHFFFAOYSA-N
Compound name
5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

269.95276 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.960036 148.6
[M+Na]+ 292.941978 162.6
[M-H]- 268.945484 156.3
[M+NH4]+ 287.986583 170.0
[M+K]+ 308.915918 153.3
[M+H-H2O]+ 252.950020 149.5
[M+HCOO]- 314.950961 169.9
[M+CH3COO]- 328.966611 190.6
[M+Na-2H]- 290.927426 155.8
[M]+ 269.95221142 172.3
[M]- 269.95330858 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe