CID 3069086

1h-3,4,6a-triazafluoranthene, 2,4,5,6-tetrahydro-9-fluoro-4-methyl-

Structural Information

Molecular Formula
C14H14FN3
SMILES
CN1CCN2C3=C(C=C(C=C3)F)C4=C2C1=NCC4
InChI
InChI=1S/C14H14FN3/c1-17-6-7-18-12-3-2-9(15)8-11(12)10-4-5-16-14(17)13(10)18/h2-3,8H,4-7H2,1H3
InChIKey
IKENNJLUWQGBLI-UHFFFAOYSA-N
Compound name
12-fluoro-4-methyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11717 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12445 154.0
[M+Na]+ 266.10639 168.7
[M+NH4]+ 261.15099 163.5
[M+K]+ 282.08033 162.0
[M-H]- 242.10989 155.1
[M+Na-2H]- 264.09184 158.2
[M]+ 243.11662 156.4
[M]- 243.11772 156.4
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.