CID 28562999

2252175-80-5

Structural Information

Molecular Formula
C5H6F3N
SMILES
C#CCNCC(F)(F)F
InChI
InChI=1S/C5H6F3N/c1-2-3-9-4-5(6,7)8/h1,9H,3-4H2
InChIKey
YTCIJTPVWBJEII-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

137.04523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05251 120.3
[M+Na]+ 160.03445 129.5
[M-H]- 136.03795 116.5
[M+NH4]+ 155.07905 139.3
[M+K]+ 176.00839 128.1
[M+H-H2O]+ 120.04249 107.8
[M+HCOO]- 182.04343 135.5
[M+CH3COO]- 196.05908 184.1
[M+Na-2H]- 158.01990 126.4
[M]+ 137.04468 110.6
[M]- 137.04578 110.6
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