CID 84648706

3-(trifluoromethyl)oxetan-3-ol

Structural Information

Molecular Formula
C4H5F3O2
SMILES
C1C(CO1)(C(F)(F)F)O
InChI
InChI=1S/C4H5F3O2/c5-4(6,7)3(8)1-9-2-3/h8H,1-2H2
InChIKey
DFMANELZPPUNRX-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

142.02417 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03145 120.3
[M+Na]+ 165.01339 127.7
[M-H]- 141.01689 120.0
[M+NH4]+ 160.05799 135.4
[M+K]+ 180.98733 131.1
[M+H-H2O]+ 125.02143 110.4
[M+HCOO]- 187.02237 136.6
[M+CH3COO]- 201.03802 171.6
[M+Na-2H]- 162.99884 128.9
[M]+ 142.02362 124.4
[M]- 142.02472 124.4
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