CID 83753763

8-fluoro-2-methylquinoline-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H8FNO2
SMILES
CC1=C(C=C2C=CC=C(C2=N1)F)C(=O)O
InChI
InChI=1S/C11H8FNO2/c1-6-8(11(14)15)5-7-3-2-4-9(12)10(7)13-6/h2-5H,1H3,(H,14,15)
InChIKey
VKTIQXPESMYOLI-UHFFFAOYSA-N
Compound name
8-fluoro-2-methylquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.