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

7
Patents

137.04523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.052506 120.3
[M+Na]+ 160.034448 129.5
[M-H]- 136.037954 116.5
[M+NH4]+ 155.079053 139.3
[M+K]+ 176.008388 128.1
[M+H-H2O]+ 120.042490 107.8
[M+HCOO]- 182.043431 135.5
[M+CH3COO]- 196.059081 184.1
[M+Na-2H]- 158.019896 126.4
[M]+ 137.04468142 110.6
[M]- 137.04577858 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