CID 3358971

5-bromo-7-methoxy-1-benzofuran-2-carboxylic 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

13
Patents

269.95276 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96004 148.7
[M+Na]+ 292.94198 152.3
[M+NH4]+ 287.98658 152.8
[M+K]+ 308.91592 155.0
[M-H]- 268.94548 149.2
[M+Na-2H]- 290.92743 150.2
[M]+ 269.95221 148.1
[M]- 269.95331 148.1
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