CID 155820244

2167257-58-9

Structural Information

Molecular Formula
C6H7F3O4
SMILES
C1C(CO1)(C(F)(F)F)OCC(=O)O
InChI
InChI=1S/C6H7F3O4/c7-6(8,9)5(2-12-3-5)13-1-4(10)11/h1-3H2,(H,10,11)
InChIKey
WMUCPYQFMYFSDR-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)oxetan-3-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02965 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03693 134.9
[M+Na]+ 223.01887 141.0
[M-H]- 199.02237 134.1
[M+NH4]+ 218.06347 147.2
[M+K]+ 238.99281 144.8
[M+H-H2O]+ 183.02691 124.1
[M+HCOO]- 245.02785 150.0
[M+CH3COO]- 259.04350 181.4
[M+Na-2H]- 221.00432 141.2
[M]+ 200.02910 141.1
[M]- 200.03020 141.1
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.