CID 132342236

Oxetan-3-yl 2,2,2-trifluoroethyl carbonate

Structural Information

Molecular Formula
C6H7F3O4
SMILES
C1C(CO1)OC(=O)OCC(F)(F)F
InChI
InChI=1S/C6H7F3O4/c7-6(8,9)3-12-5(10)13-4-1-11-2-4/h4H,1-3H2
InChIKey
BXAMOBRCYGVPIH-UHFFFAOYSA-N
Compound name
oxetan-3-yl 2,2,2-trifluoroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.02965 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.03693 132.4
[M+Na]+ 223.01887 138.3
[M-H]- 199.02237 132.7
[M+NH4]+ 218.06347 143.7
[M+K]+ 238.99281 142.9
[M+H-H2O]+ 183.02691 120.0
[M+HCOO]- 245.02785 149.1
[M+CH3COO]- 259.04350 183.1
[M+Na-2H]- 221.00432 138.2
[M]+ 200.02910 140.0
[M]- 200.03020 140.0
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.