CID 458264

2-bromodibenzofuran-4-carboxylic acid

Structural Information

Molecular Formula
C13H7BrO3
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC(=C3)Br)C(=O)O
InChI
InChI=1S/C13H7BrO3/c14-7-5-9-8-3-1-2-4-11(8)17-12(9)10(6-7)13(15)16/h1-6H,(H,15,16)
InChIKey
MTKLXSSCYZWISC-UHFFFAOYSA-N
Compound name
2-bromodibenzofuran-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.95786 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.96514 156.6
[M+Na]+ 312.94708 170.6
[M-H]- 288.95058 165.1
[M+NH4]+ 307.99168 178.0
[M+K]+ 328.92102 160.3
[M+H-H2O]+ 272.95512 157.6
[M+HCOO]- 334.95606 176.5
[M+CH3COO]- 348.97171 172.1
[M+Na-2H]- 310.93253 164.6
[M]+ 289.95731 178.8
[M]- 289.95841 178.8
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