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]+ 232.06044 148.7
[M+Na]+ 254.04238 155.2
[M-H]- 230.04588 156.4
[M+NH4]+ 249.08698 166.2
[M+K]+ 270.01632 155.0
[M+H-H2O]+ 214.05042 141.7
[M+HCOO]- 276.05136 174.0
[M+CH3COO]- 290.06701 187.1
[M+Na-2H]- 252.02783 154.3
[M]+ 231.05261 150.6
[M]- 231.05371 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.