CID 66545187

112104-41-3

Structural Information

Molecular Formula
C10H7BrO4
SMILES
COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)O
InChI
InChI=1S/C10H7BrO4/c1-14-10(13)9-8(12)6-4-5(11)2-3-7(6)15-9/h2-4,12H,1H3
InChIKey
CVTPKEQCPDXWNR-UHFFFAOYSA-N
Compound name
methyl 5-bromo-3-hydroxy-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.95276 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96004 148.8
[M+Na]+ 292.94198 162.9
[M-H]- 268.94548 156.5
[M+NH4]+ 287.98658 170.2
[M+K]+ 308.91592 153.6
[M+H-H2O]+ 252.95002 149.7
[M+HCOO]- 314.95096 170.1
[M+CH3COO]- 328.96661 190.0
[M+Na-2H]- 290.92743 155.9
[M]+ 269.95221 172.4
[M]- 269.95331 172.4
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.