CID 12640721

1,1,5,5-tetrafluoro-2,4-pentanedione

Structural Information

Molecular Formula
C5H4F4O2
SMILES
C(C(=O)C(F)F)C(=O)C(F)F
InChI
InChI=1S/C5H4F4O2/c6-4(7)2(10)1-3(11)5(8)9/h4-5H,1H2
InChIKey
FTTDMWQQHZSARH-UHFFFAOYSA-N
Compound name
1,1,5,5-tetrafluoropentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

172.01474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02202 127.3
[M+Na]+ 195.00396 134.8
[M-H]- 171.00746 122.5
[M+NH4]+ 190.04856 147.0
[M+K]+ 210.97790 134.7
[M+H-H2O]+ 155.01200 119.4
[M+HCOO]- 217.01294 144.1
[M+CH3COO]- 231.02859 181.0
[M+Na-2H]- 192.98941 127.7
[M]+ 172.01419 122.1
[M]- 172.01529 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe