CID 16227617

923120-55-2

Structural Information

Molecular Formula
C10H8FNO3
SMILES
C1C(C2=C(C=C(C=C2)F)NC1=O)C(=O)O
InChI
InChI=1S/C10H8FNO3/c11-5-1-2-6-7(10(14)15)4-9(13)12-8(6)3-5/h1-3,7H,4H2,(H,12,13)(H,14,15)
InChIKey
WQOGWVAXXVNUOX-UHFFFAOYSA-N
Compound name
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.04883 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05611 140.5
[M+Na]+ 232.03805 149.0
[M-H]- 208.04155 139.9
[M+NH4]+ 227.08265 157.8
[M+K]+ 248.01199 145.1
[M+H-H2O]+ 192.04609 133.8
[M+HCOO]- 254.04703 156.4
[M+CH3COO]- 268.06268 181.7
[M+Na-2H]- 230.02350 144.7
[M]+ 209.04828 135.9
[M]- 209.04938 135.9
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