CID 11143068

813-45-6

Structural Information

Molecular Formula
C7F14O
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7F14O/c8-2(5(13,14)15,6(16,17)18)1(22)3(9,10)4(11,12)7(19,20)21
InChIKey
SIVXJSMXRSOFRR-UHFFFAOYSA-N
Compound name
1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

126
Patents

365.97256 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97984 163.6
[M+Na]+ 388.96178 173.6
[M-H]- 364.96528 149.1
[M+NH4]+ 384.00638 174.9
[M+K]+ 404.93572 170.8
[M+H-H2O]+ 348.96982 150.0
[M+HCOO]- 410.97076 162.8
[M+CH3COO]- 424.98641 214.2
[M+Na-2H]- 386.94723 166.1
[M]+ 365.97201 141.8
[M]- 365.97311 141.8
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