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
2
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]+ 428.976636 174.9
[M+Na]+ 450.958578 184.4
[M-H]- 426.962084 165.6
[M+NH4]+ 446.003183 169.3
[M+K]+ 466.932518 180.8
[M+H-H2O]+ 410.966620 160.1
[M+HCOO]- 472.967561 174.1
[M+CH3COO]- 486.983211 224.2
[M+Na-2H]- 448.944026 173.6
[M]+ 427.96881142 155.0
[M]- 427.96990858 155.0
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.