CID 15636881

130579-27-0

Structural Information

Molecular Formula
C13H10FNO4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)O)F)C(=O)O
InChI
InChI=1S/C13H10FNO4/c14-9-3-7-10(4-11(9)16)15(6-1-2-6)5-8(12(7)17)13(18)19/h3-6,16H,1-2H2,(H,18,19)
InChIKey
GLPHFHRWJZECNZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

263.0594 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06668 153.9
[M+Na]+ 286.04862 166.3
[M-H]- 262.05212 158.1
[M+NH4]+ 281.09322 164.7
[M+K]+ 302.02256 160.2
[M+H-H2O]+ 246.05666 146.4
[M+HCOO]- 308.05760 172.0
[M+CH3COO]- 322.07325 196.3
[M+Na-2H]- 284.03407 157.3
[M]+ 263.05885 156.6
[M]- 263.05995 156.6
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