CID 125511108

6-methoxyquinolin-4-yl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C14H8F9NO4S
SMILES
COC1=CC2=C(C=CN=C2C=C1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H8F9NO4S/c1-27-7-2-3-9-8(6-7)10(4-5-24-9)28-29(25,26)14(22,23)12(17,18)11(15,16)13(19,20)21/h2-6H,1H3
InChIKey
QONUGHHHTUJULH-UHFFFAOYSA-N
Compound name
(6-methoxyquinolin-4-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

457.00302 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.01030 192.4
[M+Na]+ 479.99224 202.3
[M-H]- 455.99574 184.6
[M+NH4]+ 475.03684 200.6
[M+K]+ 495.96618 197.7
[M+H-H2O]+ 440.00028 178.6
[M+HCOO]- 502.00122 192.5
[M+CH3COO]- 516.01687 225.5
[M+Na-2H]- 477.97769 197.8
[M]+ 457.00247 186.3
[M]- 457.00357 186.3
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.