CID 154161219

8,8,8-trifluorooctan-1-amine

Structural Information

Molecular Formula
C8H16F3N
SMILES
C(CCCC(F)(F)F)CCCN
InChI
InChI=1S/C8H16F3N/c9-8(10,11)6-4-2-1-3-5-7-12/h1-7,12H2
InChIKey
KRZNTDYMSHJWQI-UHFFFAOYSA-N
Compound name
8,8,8-trifluorooctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

183.12349 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13077 140.1
[M+Na]+ 206.11271 146.2
[M-H]- 182.11621 135.5
[M+NH4]+ 201.15731 159.6
[M+K]+ 222.08665 144.2
[M+H-H2O]+ 166.12075 132.6
[M+HCOO]- 228.12169 158.8
[M+CH3COO]- 242.13734 185.4
[M+Na-2H]- 204.09816 144.0
[M]+ 183.12294 135.9
[M]- 183.12404 135.9
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

patents stripe