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
2
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]+ 353.074356 179.5
[M+Na]+ 375.056298 192.3
[M-H]- 351.059804 183.2
[M+NH4]+ 370.100903 191.2
[M+K]+ 391.030238 187.3
[M+H-H2O]+ 335.064340 169.1
[M+HCOO]- 397.065281 197.6
[M+CH3COO]- 411.080931 218.7
[M+Na-2H]- 373.041746 180.6
[M]+ 352.06653142 178.2
[M]- 352.06762858 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.