CID 2776216

134330-88-4

Structural Information

Molecular Formula
C8F14O
SMILES
C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)(\C(=O)C(C(F)(F)F)(F)F)/F
InChI
InChI=1S/C8F14O/c9-1(3(23)5(12,13)8(20,21)22)2(10)4(11,6(14,15)16)7(17,18)19/b2-1+
InChIKey
OGUAMXMVIRXTMU-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,2,4,5,6,7,7,7-undecafluoro-6-(trifluoromethyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

377.97256 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.97984 172.6
[M+Na]+ 400.96178 172.6
[M+NH4]+ 396.00638 171.9
[M+K]+ 416.93572 171.9
[M-H]- 376.96528 169.0
[M+Na-2H]- 398.94723 171.4
[M]+ 377.97201 171.5
[M]- 377.97311 171.5
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.