CID 505778

Schembl9885124

Structural Information

Molecular Formula
C14H5F2N3O2
SMILES
C1=CC2=C(N=C1)N=C3C(=O)C4=CC(=C(C=C4N3C2=O)F)F
InChI
InChI=1S/C14H5F2N3O2/c15-8-4-7-10(5-9(8)16)19-13(11(7)20)18-12-6(14(19)21)2-1-3-17-12/h1-5H
InChIKey
ZXJSKGQCPDORRL-UHFFFAOYSA-N
Compound name
13,14-difluoro-2,4,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

285.03497 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04225 160.4
[M+Na]+ 308.02419 175.6
[M-H]- 284.02769 162.0
[M+NH4]+ 303.06879 177.7
[M+K]+ 323.99813 168.5
[M+H-H2O]+ 268.03223 150.2
[M+HCOO]- 330.03317 177.8
[M+CH3COO]- 344.04882 172.9
[M+Na-2H]- 306.00964 166.1
[M]+ 285.03442 162.3
[M]- 285.03552 162.3
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