CID 155234237

Schembl22588087

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 153.0
[M+Na]+ 305.97362 155.9
[M+NH4]+ 301.01822 157.2
[M+K]+ 321.94756 158.8
[M-H]- 281.97712 154.4
[M+Na-2H]- 303.95907 154.6
[M]+ 282.98385 152.5
[M]- 282.98495 152.5
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