CID 122848

8-fluorociprofloxacin

Structural Information

Molecular Formula
C17H17F2N3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)F)C(=O)O
InChI
InChI=1S/C17H17F2N3O3/c18-12-7-10-14(13(19)15(12)21-5-3-20-4-6-21)22(9-1-2-9)8-11(16(10)23)17(24)25/h7-9,20H,1-6H2,(H,24,25)
InChIKey
CZXWNPNFWRABAP-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6,8-difluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

72
Patents

349.1238 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13108 184.9
[M+Na]+ 372.11302 194.7
[M-H]- 348.11652 186.6
[M+NH4]+ 367.15762 188.9
[M+K]+ 388.08696 186.1
[M+H-H2O]+ 332.12106 173.6
[M+HCOO]- 394.12200 194.9
[M+CH3COO]- 408.13765 192.1
[M+Na-2H]- 370.09847 183.6
[M]+ 349.12325 181.0
[M]- 349.12435 181.0
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