CID 86154818

2-(heptafluoropropyl)-1,3-dioxolane

Structural Information

Molecular Formula
C6H5F7O2
SMILES
C1COC(O1)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F7O2/c7-4(8,3-14-1-2-15-3)5(9,10)6(11,12)13/h3H,1-2H2
InChIKey
MTUYJNFDNUPNFQ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

242.01778 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.025056 139.2
[M+Na]+ 265.006998 147.4
[M-H]- 241.010504 135.1
[M+NH4]+ 260.051603 155.3
[M+K]+ 280.980938 148.1
[M+H-H2O]+ 225.015040 130.1
[M+HCOO]- 287.015981 149.0
[M+CH3COO]- 301.031631 188.2
[M+Na-2H]- 262.992446 145.5
[M]+ 242.01723142 129.3
[M]- 242.01832858 129.3
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