CID 78999

Bis(2,2,2-trifluoroethyl)amine

Structural Information

Molecular Formula
C4H5F6N
SMILES
C(C(F)(F)F)NCC(F)(F)F
InChI
InChI=1S/C4H5F6N/c5-3(6,7)1-11-2-4(8,9)10/h11H,1-2H2
InChIKey
GTJGHXLFPMOKCE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

791
Patents

181.03262 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03990 128.9
[M+Na]+ 204.02184 137.2
[M-H]- 180.02534 121.8
[M+NH4]+ 199.06644 148.4
[M+K]+ 219.99578 135.7
[M+H-H2O]+ 164.02988 119.9
[M+HCOO]- 226.03082 144.7
[M+CH3COO]- 240.04647 182.6
[M+Na-2H]- 202.00729 134.8
[M]+ 181.03207 119.5
[M]- 181.03317 119.5
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