CID 3430904

7-fluoro-2-methylquinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.05391 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.061186 139.8
[M+Na]+ 228.043128 150.2
[M-H]- 204.046634 141.2
[M+NH4]+ 223.087733 158.4
[M+K]+ 244.017068 146.5
[M+H-H2O]+ 188.051170 132.7
[M+HCOO]- 250.052111 159.4
[M+CH3COO]- 264.067761 185.1
[M+Na-2H]- 226.028576 145.9
[M]+ 205.05336142 139.5
[M]- 205.05445858 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

No literature data available for this compound.

Patent stripe

patents stripe