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]+ 428.97664 174.9
[M+Na]+ 450.95858 184.4
[M-H]- 426.96208 165.6
[M+NH4]+ 446.00318 169.3
[M+K]+ 466.93252 180.8
[M+H-H2O]+ 410.96662 160.1
[M+HCOO]- 472.96756 174.1
[M+CH3COO]- 486.98321 224.2
[M+Na-2H]- 448.94403 173.6
[M]+ 427.96881 155.0
[M]- 427.96991 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.