CID 62233526

1,1,1-trifluorohex-5-yn-3-amine hydrochloride

Structural Information

Molecular Formula
C6H8F3N
SMILES
C#CCC(CC(F)(F)F)N
InChI
InChI=1S/C6H8F3N/c1-2-3-5(10)4-6(7,8)9/h1,5H,3-4,10H2
InChIKey
AUQIMLBEYWBIOG-UHFFFAOYSA-N
Compound name
1,1,1-trifluorohex-5-yn-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.068156 126.2
[M+Na]+ 174.050098 134.8
[M-H]- 150.053604 121.8
[M+NH4]+ 169.094703 144.5
[M+K]+ 190.024038 133.3
[M+H-H2O]+ 134.058140 113.6
[M+HCOO]- 196.059081 139.7
[M+CH3COO]- 210.074731 186.9
[M+Na-2H]- 172.035546 129.6
[M]+ 151.06033142 115.3
[M]- 151.06142858 115.3
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.