CID 3463874

5,5,5-trifluoropent-3-yn-2-ol

Structural Information

Molecular Formula
C5H5F3O
SMILES
CC(C#CC(F)(F)F)O
InChI
InChI=1S/C5H5F3O/c1-4(9)2-3-5(6,7)8/h4,9H,1H3
InChIKey
UHGWURGSCDBZRO-UHFFFAOYSA-N
Compound name
5,5,5-trifluoropent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.02925 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03653 120.5
[M+Na]+ 161.01847 130.1
[M-H]- 137.02197 115.7
[M+NH4]+ 156.06307 139.3
[M+K]+ 176.99241 128.7
[M+H-H2O]+ 121.02651 108.7
[M+HCOO]- 183.02745 133.0
[M+CH3COO]- 197.04310 179.3
[M+Na-2H]- 159.00392 124.9
[M]+ 138.02870 110.5
[M]- 138.02980 110.5
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.