CID 142753464

4-methyl-5-((trifluoromethoxy)methyl)-1,3-dioxol-2-one

Structural Information

Molecular Formula
C6H5F3O4
SMILES
CC1=C(OC(=O)O1)COC(F)(F)F
InChI
InChI=1S/C6H5F3O4/c1-3-4(13-5(10)12-3)2-11-6(7,8)9/h2H2,1H3
InChIKey
BKNQKQAFIOOVJV-UHFFFAOYSA-N
Compound name
4-methyl-5-(trifluoromethoxymethyl)-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

198.01399 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02127 129.8
[M+Na]+ 221.00321 141.1
[M-H]- 197.00671 131.9
[M+NH4]+ 216.04781 148.7
[M+K]+ 236.97715 142.4
[M+H-H2O]+ 181.01125 123.4
[M+HCOO]- 243.01219 150.6
[M+CH3COO]- 257.02784 180.1
[M+Na-2H]- 218.98866 137.3
[M]+ 198.01344 132.3
[M]- 198.01454 132.3
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