CID 2778488

1,1-difluoropentane-2,4-dione

Structural Information

Molecular Formula
C5H6F2O2
SMILES
CC(=O)CC(=O)C(F)F
InChI
InChI=1S/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3
InChIKey
XUGVULWHXORSOM-UHFFFAOYSA-N
Compound name
1,1-difluoropentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

136.03358 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 128.6
[M+Na]+ 159.02280 136.4
[M+NH4]+ 154.06740 134.3
[M+K]+ 174.99674 133.0
[M-H]- 135.02630 124.1
[M+Na-2H]- 157.00825 130.0
[M]+ 136.03303 127.9
[M]- 136.03413 127.9
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