CID 11055142

100361-18-0

Structural Information

Molecular Formula
C12H8ClFN2O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(N=C32)Cl)F)C(=O)O
InChI
InChI=1S/C12H8ClFN2O3/c13-10-8(14)3-6-9(17)7(12(18)19)4-16(5-1-2-5)11(6)15-10/h3-5H,1-2H2,(H,18,19)
InChIKey
OXNZWNNMJBOZQO-UHFFFAOYSA-N
Compound name
7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

690
Patents

282.02075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02803 158.8
[M+Na]+ 305.00997 172.6
[M-H]- 281.01347 162.6
[M+NH4]+ 300.05457 169.0
[M+K]+ 320.98391 165.2
[M+H-H2O]+ 265.01801 150.9
[M+HCOO]- 327.01895 172.8
[M+CH3COO]- 341.03460 199.7
[M+Na-2H]- 302.99542 162.3
[M]+ 282.02020 163.7
[M]- 282.02130 163.7
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