CID 2736745

134330-91-9

Structural Information

Molecular Formula
C9F16O
SMILES
C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)(\C(=O)C(C(F)(F)F)(C(F)(F)F)F)/F
InChI
InChI=1S/C9F16O/c10-1(2(11)4(12,6(14,15)16)7(17,18)19)3(26)5(13,8(20,21)22)9(23,24)25/b2-1+
InChIKey
LHQQPWDNJJTKPI-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,4,5,6,7,7,7-decafluoro-2,6-bis(trifluoromethyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.96936 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97664 164.6
[M+Na]+ 450.95858 164.7
[M+NH4]+ 446.00318 164.2
[M+K]+ 466.93252 164.7
[M-H]- 426.96208 162.6
[M+Na-2H]- 448.94403 164.5
[M]+ 427.96881 164.0
[M]- 427.96991 164.0
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.