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

10
Patents

231.05316 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.060436 148.4
[M+Na]+ 254.042378 155.2
[M-H]- 230.045884 155.0
[M+NH4]+ 249.086983 165.3
[M+K]+ 270.016318 154.0
[M+H-H2O]+ 214.050420 141.8
[M+HCOO]- 276.051361 172.1
[M+CH3COO]- 290.067011 187.2
[M+Na-2H]- 252.027826 152.8
[M]+ 231.05261142 149.0
[M]- 231.05370858 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