CID 3059081

Brn 5605071

Structural Information

Molecular Formula
C17H13FN2O2
SMILES
C1C2COC(O2)(C3=NC4=C(N31)C=C(C=C4)F)C5=CC=CC=C5
InChI
InChI=1S/C17H13FN2O2/c18-12-6-7-14-15(8-12)20-9-13-10-21-17(22-13,16(20)19-14)11-4-2-1-3-5-11/h1-8,13H,9-10H2
InChIKey
QETRPWVQEJHWRC-UHFFFAOYSA-N
Compound name
7-fluoro-1-phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-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]+ 297.10338 161.9
[M+Na]+ 319.08532 173.6
[M-H]- 295.08882 168.3
[M+NH4]+ 314.12992 181.0
[M+K]+ 335.05926 169.9
[M+H-H2O]+ 279.09336 153.2
[M+HCOO]- 341.09430 177.9
[M+CH3COO]- 355.10995 174.4
[M+Na-2H]- 317.07077 168.3
[M]+ 296.09555 164.6
[M]- 296.09665 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.