CID 154699509

Ns00117272

Structural Information

Molecular Formula
C16H11F3N2O3
SMILES
CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)NO)F
InChI
InChI=1S/C16H11F3N2O3/c1-6-13(18)15(21-23)12-10(22)5-11(24-16(12)14(6)19)7-2-3-9(20)8(17)4-7/h2-5,21,23H,20H2,1H3
InChIKey
BGZUIZSBNOBPKP-UHFFFAOYSA-N
Compound name
2-(4-amino-3-fluorophenyl)-6,8-difluoro-5-(hydroxyamino)-7-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.07217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.079446 175.7
[M+Na]+ 359.061388 188.3
[M-H]- 335.064894 180.3
[M+NH4]+ 354.105993 188.6
[M+K]+ 375.035328 183.2
[M+H-H2O]+ 319.069430 165.1
[M+HCOO]- 381.070371 195.3
[M+CH3COO]- 395.086021 216.9
[M+Na-2H]- 357.046836 177.9
[M]+ 336.07162142 174.3
[M]- 336.07271858 174.3
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.