CID 15353317

2-(heptafluoropropyl)quinoline

Structural Information

Molecular Formula
C12H6F7N
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F7N/c13-10(14,11(15,16)12(17,18)19)9-6-5-7-3-1-2-4-8(7)20-9/h1-6H
InChIKey
ZZWHWQWPKGQWJK-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.03885 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04613 159.7
[M+Na]+ 320.02807 170.0
[M-H]- 296.03157 154.3
[M+NH4]+ 315.07267 174.5
[M+K]+ 336.00201 164.5
[M+H-H2O]+ 280.03611 147.5
[M+HCOO]- 342.03705 169.3
[M+CH3COO]- 356.05270 202.1
[M+Na-2H]- 318.01352 166.5
[M]+ 297.03830 150.1
[M]- 297.03940 150.1
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.