CID 513243

Schembl753035

Structural Information

Molecular Formula
C18H11FN2O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=NN=C(O3)CC4=CC=C(C=C4)F)O
InChI
InChI=1S/C18H11FN2O4/c19-11-7-5-10(6-8-11)9-14-20-21-18(25-14)17-16(23)15(22)12-3-1-2-4-13(12)24-17/h1-8,23H,9H2
InChIKey
KXOJDJLWZSMCGO-UHFFFAOYSA-N
Compound name
2-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

338.07028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07756 175.5
[M+Na]+ 361.05950 188.3
[M-H]- 337.06300 184.2
[M+NH4]+ 356.10410 185.9
[M+K]+ 377.03344 184.3
[M+H-H2O]+ 321.06754 165.3
[M+HCOO]- 383.06848 195.3
[M+CH3COO]- 397.08413 187.7
[M+Na-2H]- 359.04495 180.8
[M]+ 338.06973 180.5
[M]- 338.07083 180.5
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