CID 47000627

1227465-79-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.03317 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.040446 137.9
[M+Na]+ 230.022388 148.4
[M-H]- 206.025894 138.1
[M+NH4]+ 225.066993 155.5
[M+K]+ 245.996328 144.1
[M+H-H2O]+ 190.030430 131.1
[M+HCOO]- 252.031371 156.6
[M+CH3COO]- 266.047021 181.0
[M+Na-2H]- 228.007836 144.1
[M]+ 207.03262142 136.2
[M]- 207.03371858 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

patents stripe