CID 89936258

4-(2,2,2-trifluoroethoxy)-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C5H5F3O4
SMILES
C1C(OC(=O)O1)OCC(F)(F)F
InChI
InChI=1S/C5H5F3O4/c6-5(7,8)2-11-3-1-10-4(9)12-3/h3H,1-2H2
InChIKey
JWGOWIBSOCTTCY-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

186.01399 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02127 128.8
[M+Na]+ 209.00321 137.4
[M-H]- 185.00671 129.8
[M+NH4]+ 204.04781 147.6
[M+K]+ 224.97715 139.4
[M+H-H2O]+ 169.01125 122.3
[M+HCOO]- 231.01219 147.0
[M+CH3COO]- 245.02784 176.6
[M+Na-2H]- 206.98866 135.6
[M]+ 186.01344 127.6
[M]- 186.01454 127.6
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