CID 19036783

4,5-dichloro-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane

Structural Information

Molecular Formula
C4Cl2F6O3
SMILES
C1(C(OC(O1)(F)F)(F)Cl)(OC(F)(F)F)Cl
InChI
InChI=1S/C4Cl2F6O3/c5-1(7)2(6,14-3(8,9)10)15-4(11,12)13-1
InChIKey
FTLLXRHEDGWNNW-UHFFFAOYSA-N
Compound name
4,5-dichloro-2,2,4-trifluoro-5-(trifluoromethoxy)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

279.91287 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.92015 128.5
[M+Na]+ 302.90209 141.8
[M-H]- 278.90559 126.7
[M+NH4]+ 297.94669 150.7
[M+K]+ 318.87603 140.1
[M+H-H2O]+ 262.91013 124.4
[M+HCOO]- 324.91107 134.4
[M+CH3COO]- 338.92672 190.0
[M+Na-2H]- 300.88754 137.3
[M]+ 279.91232 127.0
[M]- 279.91342 127.0
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