CID 580492

364739-02-6

Structural Information

Molecular Formula
C12H9BrO4
SMILES
C1=CC=C(C(=C1)OCC2=CC=C(O2)C(=O)O)Br
InChI
InChI=1S/C12H9BrO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2,(H,14,15)
InChIKey
NHYPCWPVYKWBDS-UHFFFAOYSA-N
Compound name
5-[(2-bromophenoxy)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.97568 158.2
[M+Na]+ 318.95762 161.2
[M+NH4]+ 314.00222 161.9
[M+K]+ 334.93156 163.5
[M-H]- 294.96112 159.9
[M+Na-2H]- 316.94307 160.9
[M]+ 295.96785 157.8
[M]- 295.96895 157.8
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.