CID 3020374

85118-25-8

Structural Information

Molecular Formula
C9H7NO3
SMILES
C1C2=C(C=CC(=C2)C(=O)N)C(=O)O1
InChI
InChI=1S/C9H7NO3/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3H,4H2,(H2,10,11)
InChIKey
VOWKISVRIBSFMO-UHFFFAOYSA-N
Compound name
1-oxo-3H-2-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

177.04259 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 133.0
[M+Na]+ 200.031808 141.9
[M-H]- 176.035314 138.3
[M+NH4]+ 195.076413 154.2
[M+K]+ 216.005748 140.9
[M+H-H2O]+ 160.039850 127.9
[M+HCOO]- 222.040791 156.3
[M+CH3COO]- 236.056441 180.9
[M+Na-2H]- 198.017256 138.7
[M]+ 177.04204142 133.0
[M]- 177.04313858 133.0
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