CID 154699656

Ns00117404

Structural Information

Molecular Formula
C16H11F3N2O3
SMILES
CC1=C(C(=C2C(=C1F)OC(=C(C2=O)O)C3=CC(=C(C=C3)N)F)N)F
InChI
InChI=1S/C16H11F3N2O3/c1-5-10(18)12(21)9-13(22)14(23)15(24-16(9)11(5)19)6-2-3-8(20)7(17)4-6/h2-4,23H,20-21H2,1H3
InChIKey
HUSFKTRIHYXGPZ-UHFFFAOYSA-N
Compound name
5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-3-hydroxy-7-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.07217 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.079446 177.4
[M+Na]+ 359.061388 190.9
[M-H]- 335.064894 182.0
[M+NH4]+ 354.105993 190.4
[M+K]+ 375.035328 185.7
[M+H-H2O]+ 319.069430 167.1
[M+HCOO]- 381.070371 196.3
[M+CH3COO]- 395.086021 217.9
[M+Na-2H]- 357.046836 177.8
[M]+ 336.07162142 175.5
[M]- 336.07271858 175.5
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

No patent data available for this compound.