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

1
Patents

242.01778 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.02506 139.2
[M+Na]+ 265.00700 147.4
[M-H]- 241.01050 135.1
[M+NH4]+ 260.05160 155.3
[M+K]+ 280.98094 148.1
[M+H-H2O]+ 225.01504 130.1
[M+HCOO]- 287.01598 149.0
[M+CH3COO]- 301.03163 188.2
[M+Na-2H]- 262.99245 145.5
[M]+ 242.01723 129.3
[M]- 242.01833 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