CID 55256102

2-(3,3,3-trifluoropropyl)-1,3-dioxolane

Structural Information

Molecular Formula
C6H9F3O2
SMILES
C1COC(O1)CCC(F)(F)F
InChI
InChI=1S/C6H9F3O2/c7-6(8,9)2-1-5-10-3-4-11-5/h5H,1-4H2
InChIKey
DPRUTITWLKDMID-UHFFFAOYSA-N
Compound name
2-(3,3,3-trifluoropropyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05547 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06275 130.0
[M+Na]+ 193.04469 137.2
[M-H]- 169.04819 130.5
[M+NH4]+ 188.08929 149.4
[M+K]+ 209.01863 138.7
[M+H-H2O]+ 153.05273 123.3
[M+HCOO]- 215.05367 147.2
[M+CH3COO]- 229.06932 175.2
[M+Na-2H]- 191.03014 136.6
[M]+ 170.05492 126.6
[M]- 170.05602 126.6
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

No patent data available for this compound.