CID 65670659

1489133-32-5

Structural Information

Molecular Formula
C9H4BrClO3
SMILES
C1=C(C=C(C2=C1C(=CO2)C(=O)O)Br)Cl
InChI
InChI=1S/C9H4BrClO3/c10-7-2-4(11)1-5-6(9(12)13)3-14-8(5)7/h1-3H,(H,12,13)
InChIKey
UXOOKQNTEALTJT-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.90323 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.91051 147.0
[M+Na]+ 296.89245 162.8
[M-H]- 272.89595 154.8
[M+NH4]+ 291.93705 169.3
[M+K]+ 312.86639 151.1
[M+H-H2O]+ 256.90049 149.1
[M+HCOO]- 318.90143 164.1
[M+CH3COO]- 332.91708 189.4
[M+Na-2H]- 294.87790 154.3
[M]+ 273.90268 171.0
[M]- 273.90378 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.