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

14
Patents

231.06955 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.076826 148.3
[M+Na]+ 254.058768 159.5
[M-H]- 230.062274 153.2
[M+NH4]+ 249.103373 160.8
[M+K]+ 270.032708 154.1
[M+H-H2O]+ 214.066810 140.2
[M+HCOO]- 276.067751 167.7
[M+CH3COO]- 290.083401 192.6
[M+Na-2H]- 252.044216 153.5
[M]+ 231.06900142 149.7
[M]- 231.07009858 149.7
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