CID 2774908

5,5,6,6,7,7,7-heptafluoroheptane-2,4-dione

Structural Information

Molecular Formula
C7H5F7O2
SMILES
CC(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2H2,1H3
InChIKey
QHBCZMRCKGKVSR-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,7-heptafluoroheptane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

254.01778 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02506 142.3
[M+Na]+ 277.00700 150.9
[M-H]- 253.01050 134.1
[M+NH4]+ 272.05160 158.8
[M+K]+ 292.98094 149.4
[M+H-H2O]+ 237.01504 133.0
[M+HCOO]- 299.01598 152.5
[M+CH3COO]- 313.03163 194.5
[M+Na-2H]- 274.99245 145.0
[M]+ 254.01723 133.1
[M]- 254.01833 133.1
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