CID 103970

51800-99-8

Structural Information

Molecular Formula
C14H15F7O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C(C2=O)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1
InChIKey
PEWOESYEGLBLNR-XGLFCGLISA-N
Compound name
(1R,4R)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

150
Patents

348.09604 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10332 190.1
[M+Na]+ 371.08526 190.7
[M+NH4]+ 366.12986 192.1
[M+K]+ 387.05920 187.7
[M-H]- 347.08876 180.9
[M+Na-2H]- 369.07071 186.9
[M]+ 348.09549 187.3
[M]- 348.09659 187.3
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