CID 2769669

2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine

Structural Information

Molecular Formula
C5H4F9N
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C5H4F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1,15H2
InChIKey
SUNUNYBGDFIAME-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

99
Patents

249.02 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02728 141.8
[M+Na]+ 272.00922 150.5
[M-H]- 248.01272 131.0
[M+NH4]+ 267.05382 157.8
[M+K]+ 287.98316 148.2
[M+H-H2O]+ 232.01726 131.0
[M+HCOO]- 294.01820 150.2
[M+CH3COO]- 308.03385 195.9
[M+Na-2H]- 269.99467 146.1
[M]+ 249.01945 126.1
[M]- 249.02055 126.1
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