CID 16073288

Schembl2840810

Structural Information

Molecular Formula
C16H12FNO4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H12FNO4/c1-18-16(21)14-10-6-11(19)12(20)7-13(10)22-15(14)8-2-4-9(17)5-3-8/h2-7,19-20H,1H3,(H,18,21)
InChIKey
IQLZEYSDPWWSLD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5,6-dihydroxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.07504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08232 164.8
[M+Na]+ 324.06426 175.5
[M-H]- 300.06776 171.1
[M+NH4]+ 319.10886 180.4
[M+K]+ 340.03820 171.7
[M+H-H2O]+ 284.07230 157.6
[M+HCOO]- 346.07324 186.5
[M+CH3COO]- 360.08889 202.2
[M+Na-2H]- 322.04971 168.4
[M]+ 301.07449 167.3
[M]- 301.07559 167.3
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