CID 11788466

1-cyclopropyl-4,4-difluorobutane-1,3-dione

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1CC1C(=O)CC(=O)C(F)F
InChI
InChI=1S/C7H8F2O2/c8-7(9)6(11)3-5(10)4-1-2-4/h4,7H,1-3H2
InChIKey
UOFKQNOBCDNGOW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4,4-difluorobutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

162.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 127.3
[M+Na]+ 185.03846 135.8
[M-H]- 161.04196 129.3
[M+NH4]+ 180.08306 142.8
[M+K]+ 201.01240 134.0
[M+H-H2O]+ 145.04650 119.8
[M+HCOO]- 207.04744 147.1
[M+CH3COO]- 221.06309 182.2
[M+Na-2H]- 183.02391 130.0
[M]+ 162.04869 127.4
[M]- 162.04979 127.4
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