CID 121600115

1,1,1-trifluoropent-4-yn-2-amine hydrochloride

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]+ 138.052506 122.2
[M+Na]+ 160.034448 131.1
[M-H]- 136.037954 117.9
[M+NH4]+ 155.079053 140.9
[M+K]+ 176.008388 129.8
[M+H-H2O]+ 120.042490 109.8
[M+HCOO]- 182.043431 135.9
[M+CH3COO]- 196.059081 184.1
[M+Na-2H]- 158.019896 126.0
[M]+ 137.04468142 110.9
[M]- 137.04577858 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.