CID 693106

6-fluoro-2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)F)C(=O)O
InChI
InChI=1S/C11H8FNO2/c1-6-4-9(11(14)15)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey
KXMSETXWKPJCQS-UHFFFAOYSA-N
Compound name
6-fluoro-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

205.05391 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06119 139.8
[M+Na]+ 228.04313 150.2
[M-H]- 204.04663 141.2
[M+NH4]+ 223.08773 158.4
[M+K]+ 244.01707 146.5
[M+H-H2O]+ 188.05117 132.7
[M+HCOO]- 250.05211 159.4
[M+CH3COO]- 264.06776 185.1
[M+Na-2H]- 226.02858 145.9
[M]+ 205.05336 139.5
[M]- 205.05446 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe