CID 71345323

3-(heptafluoropropyl)oxolane

Structural Information

Molecular Formula
C7H7F7O
SMILES
C1COCC1C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F7O/c8-5(9,4-1-2-15-3-4)6(10,11)7(12,13)14/h4H,1-3H2
InChIKey
UYLGTFQVYFWRFU-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

240.03851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04579 141.3
[M+Na]+ 263.02773 149.1
[M-H]- 239.03123 136.4
[M+NH4]+ 258.07233 158.8
[M+K]+ 279.00167 148.2
[M+H-H2O]+ 223.03577 131.8
[M+HCOO]- 285.03671 151.4
[M+CH3COO]- 299.05236 189.0
[M+Na-2H]- 261.01318 145.9
[M]+ 240.03796 129.7
[M]- 240.03906 129.7
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

No patent data available for this compound.