CID 255854

2-(2,2,2-trifluoroethoxy)ethan-1-ol

Structural Information

Molecular Formula
C4H7F3O2
SMILES
C(COCC(F)(F)F)O
InChI
InChI=1S/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChIKey
HRBLSBRWIWIOGW-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

591
Patents

144.03981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.047086 123.6
[M+Na]+ 167.029028 131.8
[M-H]- 143.032534 118.9
[M+NH4]+ 162.073633 144.5
[M+K]+ 183.002968 131.3
[M+H-H2O]+ 127.037070 117.3
[M+HCOO]- 189.038011 142.3
[M+CH3COO]- 203.053661 170.4
[M+Na-2H]- 165.014476 130.2
[M]+ 144.03926142 120.8
[M]- 144.04035858 120.8
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