CID 5210717

2-cyclopropyl-6-fluoroquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C13H10FNO2
SMILES
C1CC1C2=NC3=C(C=C(C=C3)F)C(=C2)C(=O)O
InChI
InChI=1S/C13H10FNO2/c14-8-3-4-11-9(5-8)10(13(16)17)6-12(15-11)7-1-2-7/h3-7H,1-2H2,(H,16,17)
InChIKey
HLCKTTRLVOHYDW-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-fluoroquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.06955 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07683 153.1
[M+Na]+ 254.05877 167.5
[M+NH4]+ 249.10337 161.4
[M+K]+ 270.03271 162.4
[M-H]- 230.06227 161.5
[M+Na-2H]- 252.04422 161.7
[M]+ 231.06900 158.5
[M]- 231.07010 158.5
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

patents stripe