CID 65670887

461663-79-6

Structural Information

Molecular Formula
C9H5BrO3
SMILES
C1=CC2=C(C=C1Br)C(=CO2)C(=O)O
InChI
InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12)
InChIKey
MZQBOTQXGIKNEO-UHFFFAOYSA-N
Compound name
5-bromo-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

239.94221 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe