CID 117209589

7-fluoro-6-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C9H8FNO2
SMILES
C1CC(=O)NC2=CC(=C(C=C21)O)F
InChI
InChI=1S/C9H8FNO2/c10-6-4-7-5(3-8(6)12)1-2-9(13)11-7/h3-4,12H,1-2H2,(H,11,13)
InChIKey
PTSLWVUGUYFVGW-UHFFFAOYSA-N
Compound name
7-fluoro-6-hydroxy-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05391 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.061186 134.3
[M+Na]+ 204.043128 143.4
[M-H]- 180.046634 133.8
[M+NH4]+ 199.087733 153.0
[M+K]+ 220.017068 139.2
[M+H-H2O]+ 164.051170 127.8
[M+HCOO]- 226.052111 151.1
[M+CH3COO]- 240.067761 176.3
[M+Na-2H]- 202.028576 140.2
[M]+ 181.05336142 129.2
[M]- 181.05445858 129.2
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.