CID 379611

Nsc664315

Structural Information

Molecular Formula
C9H10F6O2
SMILES
C=CCCC(=O)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C9H10F6O2/c1-2-3-4-6(16)5-7(17,8(10,11)12)9(13,14)15/h2,17H,1,3-5H2
InChIKey
JKZULGZFOFPAFP-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)oct-7-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0585 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06578 150.5
[M+Na]+ 287.04772 158.1
[M-H]- 263.05122 141.8
[M+NH4]+ 282.09232 166.2
[M+K]+ 303.02166 155.2
[M+H-H2O]+ 247.05576 142.0
[M+HCOO]- 309.05670 160.7
[M+CH3COO]- 323.07235 193.4
[M+Na-2H]- 285.03317 153.4
[M]+ 264.05795 142.2
[M]- 264.05905 142.2
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

No patent data available for this compound.