CID 9837206

1,3-dioxole, 2,2,4-trifluoro-5-(trifluoromethoxy)-

Structural Information

Molecular Formula
C4F6O3
SMILES
C1(=C(OC(O1)(F)F)F)OC(F)(F)F
InChI
InChI=1S/C4F6O3/c5-1-2(12-3(6,7)8)13-4(9,10)11-1
InChIKey
JSGITCLSCUKHFW-UHFFFAOYSA-N
Compound name
2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1198
Patents

209.97516 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98244 162.1
[M+Na]+ 232.96438 166.6
[M+NH4]+ 228.00898 164.9
[M+K]+ 248.93832 163.3
[M-H]- 208.96788 156.3
[M+Na-2H]- 230.94983 161.4
[M]+ 209.97461 160.7
[M]- 209.97571 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe