CID 2777076

2-buten-1-ol, 4,4,4-trifluoro-, (e)-

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
1
Annotation Hits

0
References

207
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 128.7
[M+Na]+ 149.01847 136.1
[M+NH4]+ 144.06307 134.0
[M+K]+ 164.99241 131.6
[M-H]- 125.02197 123.0
[M+Na-2H]- 147.00392 130.4
[M]+ 126.02870 127.7
[M]- 126.02980 127.7
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