CID 15442507

4,4,4-trifluorobut-2-yn-1-ol

Structural Information

Molecular Formula
C4H3F3O
SMILES
C(C#CC(F)(F)F)O
InChI
InChI=1S/C4H3F3O/c5-4(6,7)2-1-3-8/h8H,3H2
InChIKey
BFNANDGYRIHOTO-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

124.013596 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.02087 115.6
[M+Na]+ 147.00281 125.8
[M-H]- 123.00632 110.9
[M+NH4]+ 142.04742 134.9
[M+K]+ 162.97675 124.2
[M+H-H2O]+ 107.01086 103.9
[M+HCOO]- 169.01180 129.2
[M+CH3COO]- 183.02745 175.8
[M+Na-2H]- 144.98826 121.7
[M]+ 124.01305 105.9
[M]- 124.01414 105.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe