CID 3244890

3-[5-(4-bromophenyl)-2-furyl]propanoic acid

Structural Information

Molecular Formula
C13H11BrO3
SMILES
C1=CC(=CC=C1C2=CC=C(O2)CCC(=O)O)Br
InChI
InChI=1S/C13H11BrO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-5,7H,6,8H2,(H,15,16)
InChIKey
ATIWCCLZIOZFAM-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

293.98917 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.99645 159.4
[M+Na]+ 316.97839 162.7
[M+NH4]+ 312.02299 163.5
[M+K]+ 332.95233 164.3
[M-H]- 292.98189 161.5
[M+Na-2H]- 314.96384 162.3
[M]+ 293.98862 159.2
[M]- 293.98972 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.