CID 138030554

2-ethyl-7-fluoroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C12H10FNO2
SMILES
CCC1=C(C=C2C=CC(=CC2=N1)F)C(=O)O
InChI
InChI=1S/C12H10FNO2/c1-2-10-9(12(15)16)5-7-3-4-8(13)6-11(7)14-10/h3-6H,2H2,1H3,(H,15,16)
InChIKey
XSPYKUKZKOJDPV-UHFFFAOYSA-N
Compound name
2-ethyl-7-fluoroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06955 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07683 146.5
[M+Na]+ 242.05877 159.9
[M+NH4]+ 237.10337 154.0
[M+K]+ 258.03271 153.5
[M-H]- 218.06227 146.7
[M+Na-2H]- 240.04422 152.0
[M]+ 219.06900 148.3
[M]- 219.07010 148.3
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.