CID 135860513

7-cl-6-fluoro-4-oxo-1-(1,2-propadienyl)-1,4-dihydro-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C13H8ClFNO3
SMILES
C=CC=[N+]1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)O
InChI
InChI=1S/C13H7ClFNO3/c1-2-3-16-6-8(13(18)19)12(17)7-4-10(15)9(14)5-11(7)16/h2-6H,1H2/p+1
InChIKey
XQJULUYYOGVZOL-UHFFFAOYSA-O
Compound name
7-chloro-6-fluoro-4-oxo-1-prop-2-enylidenequinolin-1-ium-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01767 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02495 155.5
[M+Na]+ 303.00689 166.9
[M-H]- 279.01039 157.0
[M+NH4]+ 298.05149 171.7
[M+K]+ 318.98083 154.9
[M+H-H2O]+ 263.01493 152.1
[M+HCOO]- 325.01587 168.8
[M+CH3COO]- 339.03152 189.3
[M+Na-2H]- 300.99234 160.2
[M]+ 280.01712 155.3
[M]- 280.01822 155.3
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

No patent data available for this compound.