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
1
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]+ 337.07945 177.4
[M+Na]+ 359.06139 190.9
[M-H]- 335.06489 182.0
[M+NH4]+ 354.10599 190.4
[M+K]+ 375.03533 185.7
[M+H-H2O]+ 319.06943 167.1
[M+HCOO]- 381.07037 196.3
[M+CH3COO]- 395.08602 217.9
[M+Na-2H]- 357.04684 177.8
[M]+ 336.07162 175.5
[M]- 336.07272 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.