CID 835398

4-(5-bromofuran-2-amido)benzoic acid

Structural Information

Molecular Formula
C12H8BrNO4
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C12H8BrNO4/c13-10-6-5-9(18-10)11(15)14-8-3-1-7(2-4-8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChIKey
FXIVNDDVYGCWLO-UHFFFAOYSA-N
Compound name
4-[(5-bromofuran-2-carbonyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.96368 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.97096 161.2
[M+Na]+ 331.95290 171.4
[M-H]- 307.95640 170.1
[M+NH4]+ 326.99750 178.7
[M+K]+ 347.92684 161.5
[M+H-H2O]+ 291.96094 160.1
[M+HCOO]- 353.96188 182.1
[M+CH3COO]- 367.97753 197.9
[M+Na-2H]- 329.93835 165.5
[M]+ 308.96313 180.5
[M]- 308.96423 180.5
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.