CID 6858136

Schembl12799283

Structural Information

Molecular Formula
C10H11F7O2
SMILES
CC(C)(C)/C(=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F)/O
InChI
InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4,18H,1-3H3/b5-4-
InChIKey
GCTMXWUUEYFTEL-PLNGDYQASA-N
Compound name
(Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

335
Patents

296.06473 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07201 155.0
[M+Na]+ 319.05395 162.5
[M-H]- 295.05745 145.5
[M+NH4]+ 314.09855 169.4
[M+K]+ 335.02789 160.1
[M+H-H2O]+ 279.06199 146.3
[M+HCOO]- 341.06293 161.4
[M+CH3COO]- 355.07858 200.0
[M+Na-2H]- 317.03940 157.0
[M]+ 296.06418 144.2
[M]- 296.06528 144.2
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

patents stripe