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

59
Patents

142.02417 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.031446 120.3
[M+Na]+ 165.013388 127.7
[M-H]- 141.016894 120.0
[M+NH4]+ 160.057993 135.4
[M+K]+ 180.987328 131.1
[M+H-H2O]+ 125.021430 110.4
[M+HCOO]- 187.022371 136.6
[M+CH3COO]- 201.038021 171.6
[M+Na-2H]- 162.998836 128.9
[M]+ 142.02362142 124.4
[M]- 142.02471858 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