CID 154699955

Ns00117673

Structural Information

Molecular Formula
C16H11F3N2O6S
SMILES
CC1=C(C(=C2C(=C1F)OC(=C(C2=O)OS(=O)(=O)O)C3=CC(=C(C=C3)N)F)N)F
InChI
InChI=1S/C16H11F3N2O6S/c1-5-10(18)12(21)9-13(22)16(27-28(23,24)25)14(26-15(9)11(5)19)6-2-3-8(20)7(17)4-6/h2-4H,20-21H2,1H3,(H,23,24,25)
InChIKey
SHPUPBLJTYTUDO-UHFFFAOYSA-N
Compound name
[5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4-oxochromen-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.029 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03628 193.1
[M+Na]+ 439.01822 202.3
[M+NH4]+ 434.06282 195.5
[M+K]+ 454.99216 197.5
[M-H]- 415.02172 192.3
[M+Na-2H]- 437.00367 194.3
[M]+ 416.02845 194.2
[M]- 416.02955 194.2
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.