CID 73952322

5,8-difluoroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H5F2NO2
SMILES
C1=CC(=C2C(=C1F)C=C(C=N2)C(=O)O)F
InChI
InChI=1S/C10H5F2NO2/c11-7-1-2-8(12)9-6(7)3-5(4-13-9)10(14)15/h1-4H,(H,14,15)
InChIKey
MYYFNVVSDXUHCL-UHFFFAOYSA-N
Compound name
5,8-difluoroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02884 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03612 138.0
[M+Na]+ 232.01806 148.9
[M-H]- 208.02156 138.2
[M+NH4]+ 227.06266 156.3
[M+K]+ 247.99200 144.9
[M+H-H2O]+ 192.02610 130.0
[M+HCOO]- 254.02704 156.8
[M+CH3COO]- 268.04269 184.8
[M+Na-2H]- 230.00351 144.1
[M]+ 209.02829 136.2
[M]- 209.02939 136.2
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

No patent data available for this compound.