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]+ 270.960036 148.8
[M+Na]+ 292.941978 162.9
[M-H]- 268.945484 156.5
[M+NH4]+ 287.986583 170.2
[M+K]+ 308.915918 153.6
[M+H-H2O]+ 252.950020 149.7
[M+HCOO]- 314.950961 170.0
[M+CH3COO]- 328.966611 190.0
[M+Na-2H]- 290.927426 155.9
[M]+ 269.95221142 172.4
[M]- 269.95330858 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.