CID 3044267

Brn 1154635

Structural Information

Molecular Formula
C17H13FN2O2
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=C(C=C5)F
InChI
InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)17-16-19-14-3-1-2-4-15(14)20(16)9-13(22-17)10-21-17/h1-8,13H,9-10H2
InChIKey
IURQTQISAHPECG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0961 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.103376 161.9
[M+Na]+ 319.085318 173.6
[M-H]- 295.088824 168.3
[M+NH4]+ 314.129923 181.0
[M+K]+ 335.059258 169.9
[M+H-H2O]+ 279.093360 153.2
[M+HCOO]- 341.094301 177.9
[M+CH3COO]- 355.109951 174.4
[M+Na-2H]- 317.070766 168.3
[M]+ 296.09555142 164.6
[M]- 296.09664858 164.6
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.