CID 13746960

105674-91-7

Structural Information

Molecular Formula
C13H11FN2O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N)F)C(=O)O
InChI
InChI=1S/C13H11FN2O3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2,15H2,(H,18,19)
InChIKey
WPZKYVITJZPWOT-UHFFFAOYSA-N
Compound name
7-amino-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

262.07538 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.082656 154.6
[M+Na]+ 285.064598 166.8
[M-H]- 261.068104 159.6
[M+NH4]+ 280.109203 165.7
[M+K]+ 301.038538 160.5
[M+H-H2O]+ 245.072640 146.9
[M+HCOO]- 307.073581 174.5
[M+CH3COO]- 321.089231 200.8
[M+Na-2H]- 283.050046 157.9
[M]+ 262.07483142 156.2
[M]- 262.07592858 156.2
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