CID 389710

Aminoflavone

Structural Information

Molecular Formula
C16H11F3N2O2
SMILES
CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F
InChI
InChI=1S/C16H11F3N2O2/c1-6-13(18)15(21)12-10(22)5-11(23-16(12)14(6)19)7-2-3-9(20)8(17)4-7/h2-5H,20-21H2,1H3
InChIKey
RTUZVPPGTJRELI-UHFFFAOYSA-N
Compound name
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

246
Patents

320.07727 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08455 173.4
[M+Na]+ 343.06649 186.7
[M-H]- 319.06999 179.0
[M+NH4]+ 338.11109 187.6
[M+K]+ 359.04043 181.4
[M+H-H2O]+ 303.07453 162.9
[M+HCOO]- 365.07547 193.7
[M+CH3COO]- 379.09112 216.3
[M+Na-2H]- 341.05194 174.9
[M]+ 320.07672 171.4
[M]- 320.07782 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe