CID 10015064

2(5h)-furanone, 5-(heptafluoropropyl)-

Structural Information

Molecular Formula
C7H3F7O2
SMILES
C1=CC(=O)OC1C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F7O2/c8-5(9,3-1-2-4(15)16-3)6(10,11)7(12,13)14/h1-3H
InChIKey
CNLNFEHEUBCQRA-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.00212 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00940 140.6
[M+Na]+ 274.99134 150.5
[M-H]- 250.99484 136.5
[M+NH4]+ 270.03594 157.9
[M+K]+ 290.96528 149.3
[M+H-H2O]+ 234.99938 131.3
[M+HCOO]- 297.00032 152.5
[M+CH3COO]- 311.01597 190.8
[M+Na-2H]- 272.97679 145.8
[M]+ 252.00157 131.5
[M]- 252.00267 131.5
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.