CID 21977468

6,6,6-trifluorohexan-3-one

Structural Information

Molecular Formula
C6H9F3O
SMILES
CCC(=O)CCC(F)(F)F
InChI
InChI=1S/C6H9F3O/c1-2-5(10)3-4-6(7,8)9/h2-4H2,1H3
InChIKey
LKEYHSAKBVEOJQ-UHFFFAOYSA-N
Compound name
6,6,6-trifluorohexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

154.06055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06783 127.7
[M+Na]+ 177.04977 135.7
[M-H]- 153.05327 124.3
[M+NH4]+ 172.09437 148.9
[M+K]+ 193.02371 135.0
[M+H-H2O]+ 137.05781 121.3
[M+HCOO]- 199.05875 146.3
[M+CH3COO]- 213.07440 177.1
[M+Na-2H]- 175.03522 132.6
[M]+ 154.06000 124.8
[M]- 154.06110 124.8
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