CID 154699521

Ns00117284

Structural Information

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

2D Structure

compound 2d structure
1
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]+ 337.07945 175.7
[M+Na]+ 359.06139 188.3
[M-H]- 335.06489 180.3
[M+NH4]+ 354.10599 188.6
[M+K]+ 375.03533 183.2
[M+H-H2O]+ 319.06943 165.1
[M+HCOO]- 381.07037 195.3
[M+CH3COO]- 395.08602 216.9
[M+Na-2H]- 357.04684 177.9
[M]+ 336.07162 174.3
[M]- 336.07272 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.