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]+ 157.04709 125.1
[M+Na]+ 179.02903 132.1
[M-H]- 155.03253 124.7
[M+NH4]+ 174.07363 139.7
[M+K]+ 195.00297 135.2
[M+H-H2O]+ 139.03707 115.0
[M+HCOO]- 201.03801 141.1
[M+CH3COO]- 215.05366 174.5
[M+Na-2H]- 177.01448 133.1
[M]+ 156.03926 129.5
[M]- 156.04036 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.