CID 320932

4-(furan-2-amido)benzoic acid

Structural Information

Molecular Formula
C12H9NO4
SMILES
C1=COC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H9NO4/c14-11(10-2-1-7-17-10)13-9-5-3-8(4-6-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKey
LKSXLVUUFLNDSS-UHFFFAOYSA-N
Compound name
4-(furan-2-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.05316 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06044 148.4
[M+Na]+ 254.04238 155.2
[M-H]- 230.04588 155.0
[M+NH4]+ 249.08698 165.3
[M+K]+ 270.01632 154.0
[M+H-H2O]+ 214.05042 141.8
[M+HCOO]- 276.05136 172.1
[M+CH3COO]- 290.06701 187.2
[M+Na-2H]- 252.02783 152.8
[M]+ 231.05261 149.0
[M]- 231.05371 149.0
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

patents stripe