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 148.3
[M+Na]+ 254.05877 159.5
[M-H]- 230.06227 153.2
[M+NH4]+ 249.10337 160.8
[M+K]+ 270.03271 154.1
[M+H-H2O]+ 214.06681 140.2
[M+HCOO]- 276.06775 167.7
[M+CH3COO]- 290.08340 192.6
[M+Na-2H]- 252.04422 153.5
[M]+ 231.06900 149.7
[M]- 231.07010 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