CID 10743224

3-(perfluorooctyl)propylamine

Structural Information

Molecular Formula
C11H8F17N
SMILES
C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CN
InChI
InChI=1S/C11H8F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3,29H2
InChIKey
CVTWASMMVSOPEW-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

155
Patents

477.0385 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.04578 162.7
[M+Na]+ 500.02772 162.8
[M+NH4]+ 495.07232 162.5
[M+K]+ 516.00166 163.0
[M-H]- 476.03122 161.3
[M+Na-2H]- 498.01317 162.9
[M]+ 477.03795 162.3
[M]- 477.03905 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe