CID 154699856

Ns00117583

Structural Information

Molecular Formula
C16H11F3N2O4
SMILES
CC1=C(C(=C2C(=C1F)OC(=C(C2=O)O)C3=CC(=C(C=C3)N)F)NO)F
InChI
InChI=1S/C16H11F3N2O4/c1-5-10(18)12(21-24)9-13(22)14(23)15(25-16(9)11(5)19)6-2-3-8(20)7(17)4-6/h2-4,21,23-24H,20H2,1H3
InChIKey
OLLJBHLSMFUULQ-UHFFFAOYSA-N
Compound name
2-(4-amino-3-fluorophenyl)-6,8-difluoro-3-hydroxy-5-(hydroxyamino)-7-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.06708 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07436 179.5
[M+Na]+ 375.05630 192.3
[M-H]- 351.05980 183.2
[M+NH4]+ 370.10090 191.2
[M+K]+ 391.03024 187.3
[M+H-H2O]+ 335.06434 169.1
[M+HCOO]- 397.06528 197.6
[M+CH3COO]- 411.08093 218.7
[M+Na-2H]- 373.04175 180.6
[M]+ 352.06653 178.2
[M]- 352.06763 178.2
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.