CID 68287859

7,8-difluoro-3-hydroxy-2-methylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C11H7F2NO3
SMILES
CC1=C(C(=C2C=CC(=C(C2=N1)F)F)C(=O)O)O
InChI
InChI=1S/C11H7F2NO3/c1-4-10(15)7(11(16)17)5-2-3-6(12)8(13)9(5)14-4/h2-3,15H,1H3,(H,16,17)
InChIKey
DUUCHVXYERGRSN-UHFFFAOYSA-N
Compound name
7,8-difluoro-3-hydroxy-2-methylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

239.0394 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04668 150.4
[M+Na]+ 262.02862 162.3
[M+NH4]+ 257.07322 156.1
[M+K]+ 278.00256 157.5
[M-H]- 238.03212 148.2
[M+Na-2H]- 260.01407 153.6
[M]+ 239.03885 151.2
[M]- 239.03995 151.2
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