CID 11090867

Bis(acetato-o)(7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylato-o3,o4)boron

Structural Information

Molecular Formula
C17H14BClFNO7
SMILES
B(OC(=O)C)(OC(=O)C)OC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)Cl)C3CC3
InChI
InChI=1S/C17H14BClFNO7/c1-8(22)26-18(27-9(2)23)28-17(25)12-7-21(10-3-4-10)15-6-13(19)14(20)5-11(15)16(12)24/h5-7,10H,3-4H2,1-2H3
InChIKey
LFLRJGHZERKZBL-UHFFFAOYSA-N
Compound name
diacetyloxyboranyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

409.0536 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06088 185.7
[M+Na]+ 432.04282 197.9
[M+NH4]+ 427.08742 190.1
[M+K]+ 448.01676 195.9
[M-H]- 408.04632 191.1
[M+Na-2H]- 430.02827 190.3
[M]+ 409.05305 189.9
[M]- 409.05415 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe