CID 10743224

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-1-amine

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
3
Annotation Hits

1
References

139
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 163.5
[M+Na]+ 500.02772 170.3
[M-H]- 476.03122 169.5
[M+NH4]+ 495.07232 169.9
[M+K]+ 516.00166 177.2
[M+H-H2O]+ 460.03576 152.0
[M+HCOO]- 522.03670 182.1
[M+CH3COO]- 536.05235 237.3
[M+Na-2H]- 498.01317 162.8
[M]+ 477.03795 159.8
[M]- 477.03905 159.8
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