CID 87076853

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

Structural Information

Molecular Formula
C4H4F3N
SMILES
C(C#CC(F)(F)F)N
InChI
InChI=1S/C4H4F3N/c5-4(6,7)2-1-3-8/h3,8H2
InChIKey
OQZYIEKWKXGOQB-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

123.02959 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.03687 117.3
[M+Na]+ 146.01881 127.0
[M-H]- 122.02231 113.2
[M+NH4]+ 141.06341 136.7
[M+K]+ 161.99275 125.5
[M+H-H2O]+ 106.02685 105.1
[M+HCOO]- 168.02779 132.3
[M+CH3COO]- 182.04344 180.1
[M+Na-2H]- 144.00426 122.8
[M]+ 123.02904 106.3
[M]- 123.03014 106.3
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

patents stripe