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
2
Annotation Hits

0
References

12
Patents

377.97256 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.979836 163.8
[M+Na]+ 400.961778 173.2
[M-H]- 376.965284 148.9
[M+NH4]+ 396.006383 160.3
[M+K]+ 416.935718 169.9
[M+H-H2O]+ 360.969820 150.0
[M+HCOO]- 422.970761 166.3
[M+CH3COO]- 436.986411 216.0
[M+Na-2H]- 398.947226 162.9
[M]+ 377.97201142 141.3
[M]- 377.97310858 141.3
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

No patent data available for this compound.