CID 23234846

2,2,4,4,5,5-hexafluoro-1,3-dioxolane

Structural Information

Molecular Formula
C3F6O2
SMILES
C1(C(OC(O1)(F)F)(F)F)(F)F
InChI
InChI=1S/C3F6O2/c4-1(5)2(6,7)11-3(8,9)10-1
InChIKey
KGLNKLTXFWKSLA-UHFFFAOYSA-N
Compound name
2,2,4,4,5,5-hexafluoro-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

724
Patents

181.98026 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.98754 115.6
[M+Na]+ 204.96948 128.3
[M-H]- 180.97298 114.3
[M+NH4]+ 200.01408 140.5
[M+K]+ 220.94342 129.5
[M+H-H2O]+ 164.97752 109.5
[M+HCOO]- 226.97846 132.2
[M+CH3COO]- 240.99411 177.1
[M+Na-2H]- 202.95493 124.3
[M]+ 181.97971 110.0
[M]- 181.98081 110.0
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