CID 67728

355-17-9

Structural Information

Molecular Formula
C5H3F7O
SMILES
CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H3F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey
XJYXROGTQYHLTH-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

387
Patents

212.00722 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.01450 132.5
[M+Na]+ 234.99644 141.8
[M-H]- 210.99994 124.6
[M+NH4]+ 230.04104 150.8
[M+K]+ 250.97038 140.5
[M+H-H2O]+ 195.00448 123.5
[M+HCOO]- 257.00542 143.9
[M+CH3COO]- 271.02107 186.9
[M+Na-2H]- 232.98189 137.1
[M]+ 212.00667 122.4
[M]- 212.00777 122.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe