CID 86016132

2-(trifluoromethyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C4H5F3O
SMILES
C=C(CO)C(F)(F)F
InChI
InChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h8H,1-2H2
InChIKey
NVFLEVFZDHKWKL-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

126.02925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.03653 119.0
[M+Na]+ 149.01847 127.3
[M-H]- 125.02197 114.5
[M+NH4]+ 144.06307 140.5
[M+K]+ 164.99241 126.2
[M+H-H2O]+ 109.02651 113.1
[M+HCOO]- 171.02745 136.7
[M+CH3COO]- 185.04310 168.3
[M+Na-2H]- 147.00392 124.3
[M]+ 126.02870 113.3
[M]- 126.02980 113.3
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.