CID 110980

4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

Structural Information

Molecular Formula
C6F10O3
SMILES
C(=O)(C1(OC(C(O1)(F)F)(C(F)(F)F)F)C(F)(F)F)F
InChI
InChI=1S/C6F10O3/c7-1(17)2(4(9,10)11)18-3(8,5(12,13)14)6(15,16)19-2
InChIKey
IHZQVNJWZLTECJ-UHFFFAOYSA-N
Compound name
4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

84
Patents

309.96878 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97606 142.7
[M+Na]+ 332.95800 155.2
[M-H]- 308.96150 136.6
[M+NH4]+ 328.00260 162.0
[M+K]+ 348.93194 155.5
[M+H-H2O]+ 292.96604 134.6
[M+HCOO]- 354.96698 150.5
[M+CH3COO]- 368.98263 199.4
[M+Na-2H]- 330.94345 148.9
[M]+ 309.96823 131.6
[M]- 309.96933 131.6
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