CID 1905602

9-(nonafluorobutyl)-2,3,6,7-tetrahydro-1h,5h,11h-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one

Structural Information

Molecular Formula
C19H14F9NO2
SMILES
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C19H14F9NO2/c20-16(21,17(22,23)18(24,25)19(26,27)28)12-8-13(30)31-15-10-4-2-6-29-5-1-3-9(14(10)29)7-11(12)15/h7-8H,1-6H2
InChIKey
QIXJBQLHXCUZTC-UHFFFAOYSA-N
Compound name
6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

459.08807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.09535 207.3
[M+Na]+ 482.07729 216.3
[M-H]- 458.08079 200.3
[M+NH4]+ 477.12189 216.1
[M+K]+ 498.05123 210.3
[M+H-H2O]+ 442.08533 192.3
[M+HCOO]- 504.08627 204.0
[M+CH3COO]- 518.10192 233.4
[M+Na-2H]- 480.06274 211.4
[M]+ 459.08752 194.7
[M]- 459.08862 194.7
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.