CID 431936

2-(3-fluorophenyl)thieno(2,3-b)quinolin-3-ol 1,1-dioxide

Structural Information

Molecular Formula
C17H10FNO3S
SMILES
C1=CC=C2C(=C1)C=C3C(=C(S(=O)(=O)C3=N2)C4=CC(=CC=C4)F)O
InChI
InChI=1S/C17H10FNO3S/c18-12-6-3-5-11(8-12)16-15(20)13-9-10-4-1-2-7-14(10)19-17(13)23(16,21)22/h1-9,20H
InChIKey
QERXZWGAFUHCMO-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1,1-dioxothieno[2,3-b]quinolin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.03653 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04381 170.1
[M+Na]+ 350.02575 183.9
[M-H]- 326.02925 176.6
[M+NH4]+ 345.07035 189.1
[M+K]+ 365.99969 177.0
[M+H-H2O]+ 310.03379 162.7
[M+HCOO]- 372.03473 186.0
[M+CH3COO]- 386.05038 182.7
[M+Na-2H]- 348.01120 174.4
[M]+ 327.03598 174.3
[M]- 327.03708 174.3
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.