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 148.7
[M+Na]+ 292.94198 152.3
[M+NH4]+ 287.98658 152.8
[M+K]+ 308.91592 155.0
[M-H]- 268.94548 149.2
[M+Na-2H]- 290.92743 150.2
[M]+ 269.95221 148.1
[M]- 269.95331 148.1
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.