CID 67792

372-25-8

Structural Information

Molecular Formula
C6H4F6O
SMILES
CC(=CC(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H4F6O/c1-3(5(7,8)9)2-4(13)6(10,11)12/h2H,1H3
InChIKey
WRMWSVCCMDLQCJ-UHFFFAOYSA-N
Compound name
1,1,1,5,5,5-hexafluoro-4-methylpent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01663 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02391 133.1
[M+Na]+ 229.00585 141.9
[M-H]- 205.00935 126.2
[M+NH4]+ 224.05045 151.9
[M+K]+ 244.97979 140.2
[M+H-H2O]+ 189.01389 124.6
[M+HCOO]- 251.01483 146.2
[M+CH3COO]- 265.03048 184.8
[M+Na-2H]- 226.99130 135.8
[M]+ 206.01608 124.1
[M]- 206.01718 124.1
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.