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

12
Patents

126.02925 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.036526 119.0
[M+Na]+ 149.018468 127.3
[M-H]- 125.021974 114.5
[M+NH4]+ 144.063073 140.5
[M+K]+ 164.992408 126.2
[M+H-H2O]+ 109.026510 113.1
[M+HCOO]- 171.027451 136.7
[M+CH3COO]- 185.043101 168.3
[M+Na-2H]- 147.003916 124.3
[M]+ 126.02870142 113.3
[M]- 126.02979858 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

literature stripe

Patent stripe

patents stripe