CID 154699607

Ns00117363

Structural Information

Molecular Formula
C16H11F3N2O4
SMILES
CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NO)F)NO)F
InChI
InChI=1S/C16H11F3N2O4/c1-6-13(18)15(21-24)12-10(22)5-11(25-16(12)14(6)19)7-2-3-9(20-23)8(17)4-7/h2-5,20-21,23-24H,1H3
InChIKey
GEASYZROZMRJJL-UHFFFAOYSA-N
Compound name
6,8-difluoro-2-[3-fluoro-4-(hydroxyamino)phenyl]-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.074356 177.6
[M+Na]+ 375.056298 189.5
[M-H]- 351.059804 181.4
[M+NH4]+ 370.100903 189.3
[M+K]+ 391.030238 184.8
[M+H-H2O]+ 335.064340 167.0
[M+HCOO]- 397.065281 196.5
[M+CH3COO]- 411.080931 217.6
[M+Na-2H]- 373.041746 180.7
[M]+ 352.06653142 176.9
[M]- 352.06762858 176.9
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.