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
3
Annotation Hits

1
References

1448
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 126.6
[M+Na]+ 232.96438 138.4
[M-H]- 208.96788 124.8
[M+NH4]+ 228.00898 146.6
[M+K]+ 248.93832 139.5
[M+H-H2O]+ 192.97242 118.8
[M+HCOO]- 254.97336 142.9
[M+CH3COO]- 268.98901 181.5
[M+Na-2H]- 230.94983 133.8
[M]+ 209.97461 122.5
[M]- 209.97571 122.5
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