CID 154699741

Ns00117480

Structural Information

Molecular Formula
C16H11F3N2O6S
SMILES
CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)NOS(=O)(=O)O)F
InChI
InChI=1S/C16H11F3N2O6S/c1-6-13(18)15(21-27-28(23,24)25)12-10(22)5-11(26-16(12)14(6)19)7-2-3-9(20)8(17)4-7/h2-5,21H,20H2,1H3,(H,23,24,25)
InChIKey
KIZLKKOSCJAZHD-UHFFFAOYSA-N
Compound name
[[2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4-oxochromen-5-yl]amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.029 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03628 191.5
[M+Na]+ 439.01822 200.7
[M+NH4]+ 434.06282 194.1
[M+K]+ 454.99216 195.6
[M-H]- 415.02172 190.9
[M+Na-2H]- 437.00367 193.5
[M]+ 416.02845 192.7
[M]- 416.02955 192.7
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.