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

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 163.8
[M+Na]+ 400.96178 173.2
[M-H]- 376.96528 148.9
[M+NH4]+ 396.00638 160.3
[M+K]+ 416.93572 169.9
[M+H-H2O]+ 360.96982 150.0
[M+HCOO]- 422.97076 166.3
[M+CH3COO]- 436.98641 216.0
[M+Na-2H]- 398.94723 162.9
[M]+ 377.97201 141.3
[M]- 377.97311 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.