CID 735247

5-bromo-2-benzofurancarboxylic acid

Structural Information

Molecular Formula
C9H5BrO3
SMILES
C1=CC2=C(C=C1Br)C=C(O2)C(=O)O
InChI
InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChIKey
QKUWZCOVKRUXKX-UHFFFAOYSA-N
Compound name
5-bromo-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

304
Patents

239.94221 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.94949 141.9
[M+Na]+ 262.93143 155.8
[M-H]- 238.93493 149.5
[M+NH4]+ 257.97603 164.3
[M+K]+ 278.90537 146.1
[M+H-H2O]+ 222.93947 143.1
[M+HCOO]- 284.94041 163.4
[M+CH3COO]- 298.95606 184.7
[M+Na-2H]- 260.91688 150.2
[M]+ 239.94166 163.6
[M]- 239.94276 163.6
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