CID 377633

2,2-bis(trifluoromethyl)tetrachloro-1,3-dioxolane

Structural Information

Molecular Formula
C5Cl4F6O2
SMILES
C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C5Cl4F6O2/c6-2(7)3(8,9)17-1(16-2,4(10,11)12)5(13,14)15
InChIKey
RSNKMTZZWVFGES-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrachloro-2,2-bis(trifluoromethyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

345.85565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.86293 140.3
[M+Na]+ 368.84487 152.3
[M-H]- 344.84837 136.3
[M+NH4]+ 363.88947 159.0
[M+K]+ 384.81881 148.7
[M+H-H2O]+ 328.85291 137.2
[M+HCOO]- 390.85385 134.1
[M+CH3COO]- 404.86950 201.6
[M+Na-2H]- 366.83032 146.8
[M]+ 345.85510 136.2
[M]- 345.85620 136.2
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

patents stripe