PubChemLite - Besifloxacin (C19H21ClFN3O3)

Structural Information

Molecular Formula

SMILES

C1CCN(C[C@@H](C1)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1

InChIKey

QFFGVLORLPOAEC-SNVBAGLBSA-N

Compound name

7-[(3R)-3-aminoazepan-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	394.13283	183.6
[M+Na]+	416.11477	192.6
[M-H]-	392.11827	189.7
[M+NH4]+	411.15937	188.6
[M+K]+	432.08871	190.2
[M+H-H2O]+	376.12281	174.4
[M+HCOO]-	438.12375	193.2
[M+CH3COO]-	452.13940	191.6
[M+Na-2H]-	414.10022	181.9
[M]+	393.12500	181.1
[M]-	393.12610	181.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

394.13283

183.6

[M+Na]+

416.11477

192.6

[M-H]-

392.11827

189.7

[M+NH4]+

411.15937

188.6

[M+K]+

432.08871

190.2

[M+H-H2O]+

376.12281

174.4

[M+HCOO]-

438.12375

193.2

[M+CH3COO]-

452.13940

191.6

[M+Na-2H]-

414.10022

181.9

[M]+

393.12500

181.1

[M]-

393.12610

181.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Besifloxacin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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