CID 71186

Ibafloxacin

Structural Information

Molecular Formula
C15H14FNO3
SMILES
CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2C)F)C(=O)O
InChI
InChI=1S/C15H14FNO3/c1-7-3-4-9-8(2)12(16)5-10-13(9)17(7)6-11(14(10)18)15(19)20/h5-7H,3-4H2,1-2H3,(H,19,20)
InChIKey
DXKRGNXUIRKXNR-UHFFFAOYSA-N
Compound name
7-fluoro-8,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

2686
Patents

275.09576 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10304 159.6
[M+Na]+ 298.08498 170.1
[M-H]- 274.08848 161.2
[M+NH4]+ 293.12958 176.9
[M+K]+ 314.05892 165.6
[M+H-H2O]+ 258.09302 152.0
[M+HCOO]- 320.09396 174.8
[M+CH3COO]- 334.10961 202.1
[M+Na-2H]- 296.07043 163.0
[M]+ 275.09521 160.4
[M]- 275.09631 160.4
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

patents stripe