CID 53399571

1167056-89-4

Structural Information

Molecular Formula
C10H6FNO3
SMILES
C1=CC2=NC=C(C(=C2C=C1F)C(=O)O)O
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-7-6(3-5)9(10(14)15)8(13)4-12-7/h1-4,13H,(H,14,15)
InChIKey
UPTVMNMTVAWXBH-UHFFFAOYSA-N
Compound name
6-fluoro-3-hydroxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.03317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 138.8
[M+Na]+ 230.022388 149.0
[M-H]- 206.025894 138.9
[M+NH4]+ 225.066993 156.4
[M+K]+ 245.996328 145.3
[M+H-H2O]+ 190.030430 131.9
[M+HCOO]- 252.031371 157.3
[M+CH3COO]- 266.047021 181.8
[M+Na-2H]- 228.007836 145.0
[M]+ 207.03262142 137.7
[M]- 207.03371858 137.7
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