CID 2777076

4,4,4-trifluoro-2-buten-1-ol

Structural Information

Molecular Formula
C4H5F3O
SMILES
C(C=CC(F)(F)F)O
InChI
InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2
InChIKey
UUTWQLLIVDODPQ-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

296
Patents

126.02925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.036526 119.2
[M+Na]+ 149.018468 127.8
[M-H]- 125.021974 114.7
[M+NH4]+ 144.063073 140.9
[M+K]+ 164.992408 126.3
[M+H-H2O]+ 109.026510 113.3
[M+HCOO]- 171.027451 137.9
[M+CH3COO]- 185.043101 166.8
[M+Na-2H]- 147.003916 125.8
[M]+ 126.02870142 114.2
[M]- 126.02979858 114.2
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