CID 155234237

5-bromo-6-(dimethylamino)-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H10BrNO3
SMILES
CN(C)C1=C(C=C2C=C(OC2=C1)C(=O)O)Br
InChI
InChI=1S/C11H10BrNO3/c1-13(2)8-5-9-6(3-7(8)12)4-10(16-9)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKey
MJMRQWGHLOELJU-UHFFFAOYSA-N
Compound name
5-bromo-6-(dimethylamino)-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

282.9844 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.99168 155.0
[M+Na]+ 305.97362 167.9
[M-H]- 281.97712 163.7
[M+NH4]+ 301.01822 176.1
[M+K]+ 321.94756 158.8
[M+H-H2O]+ 265.98166 154.8
[M+HCOO]- 327.98260 177.0
[M+CH3COO]- 341.99825 199.3
[M+Na-2H]- 303.95907 161.1
[M]+ 282.98385 178.0
[M]- 282.98495 178.0
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

patents stripe