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
1
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]+ 353.07436 177.6
[M+Na]+ 375.05630 189.5
[M-H]- 351.05980 181.4
[M+NH4]+ 370.10090 189.3
[M+K]+ 391.03024 184.8
[M+H-H2O]+ 335.06434 167.0
[M+HCOO]- 397.06528 196.5
[M+CH3COO]- 411.08093 217.6
[M+Na-2H]- 373.04175 180.7
[M]+ 352.06653 176.9
[M]- 352.06763 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.