CID 36197

Nsc 221166

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05316 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.060436 148.7
[M+Na]+ 254.042378 155.2
[M-H]- 230.045884 156.4
[M+NH4]+ 249.086983 166.2
[M+K]+ 270.016318 155.0
[M+H-H2O]+ 214.050420 141.7
[M+HCOO]- 276.051361 174.0
[M+CH3COO]- 290.067011 187.1
[M+Na-2H]- 252.027826 154.3
[M]+ 231.05261142 150.6
[M]- 231.05370858 150.6
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.