CID 165905849

[2-(trifluoromethyl)oxetan-2-yl]methanol

Structural Information

Molecular Formula
C5H7F3O2
SMILES
C1COC1(CO)C(F)(F)F
InChI
InChI=1S/C5H7F3O2/c6-5(7,8)4(3-9)1-2-10-4/h9H,1-3H2
InChIKey
HIBANJRIPVFNLM-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)oxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.03981 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.047086 125.1
[M+Na]+ 179.029028 132.1
[M-H]- 155.032534 124.7
[M+NH4]+ 174.073633 139.7
[M+K]+ 195.002968 135.2
[M+H-H2O]+ 139.037070 115.0
[M+HCOO]- 201.038011 141.1
[M+CH3COO]- 215.053661 174.5
[M+Na-2H]- 177.014476 133.1
[M]+ 156.03926142 129.5
[M]- 156.04035858 129.5
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.