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

323
Patents

126.02925 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 119.2
[M+Na]+ 149.01847 127.8
[M-H]- 125.02197 114.7
[M+NH4]+ 144.06307 140.9
[M+K]+ 164.99241 126.3
[M+H-H2O]+ 109.02651 113.3
[M+HCOO]- 171.02745 137.9
[M+CH3COO]- 185.04310 166.8
[M+Na-2H]- 147.00392 125.8
[M]+ 126.02870 114.2
[M]- 126.02980 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