CID 59048

101833-16-3

Structural Information

Molecular Formula
C8H8F6O3
SMILES
C1COC(=O)C1CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H8F6O3/c9-7(10,11)6(16,8(12,13)14)3-4-1-2-17-5(4)15/h4,16H,1-3H2
InChIKey
TZPZWBIXKMCVEB-UHFFFAOYSA-N
Compound name
3-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03775 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 147.5
[M+Na]+ 289.02697 155.5
[M-H]- 265.03047 142.7
[M+NH4]+ 284.07157 163.6
[M+K]+ 305.00091 154.3
[M+H-H2O]+ 249.03501 139.2
[M+HCOO]- 311.03595 157.5
[M+CH3COO]- 325.05160 189.9
[M+Na-2H]- 287.01242 151.7
[M]+ 266.03720 138.2
[M]- 266.03830 138.2
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.