CID 121600115

2731007-40-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 122.2
[M+Na]+ 160.03445 131.1
[M-H]- 136.03795 117.9
[M+NH4]+ 155.07905 140.9
[M+K]+ 176.00839 129.8
[M+H-H2O]+ 120.04249 109.8
[M+HCOO]- 182.04343 135.9
[M+CH3COO]- 196.05908 184.1
[M+Na-2H]- 158.01990 126.0
[M]+ 137.04468 110.9
[M]- 137.04578 110.9
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

No patent data available for this compound.