CID 63319375

1-cyclopropyl-3-(4-fluorophenyl)propane-1,3-dione

Structural Information

Molecular Formula
C12H11FO2
SMILES
C1CC1C(=O)CC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FO2/c13-10-5-3-9(4-6-10)12(15)7-11(14)8-1-2-8/h3-6,8H,1-2,7H2
InChIKey
KILFAEKYMMTSDU-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-(4-fluorophenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

206.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08159 139.6
[M+Na]+ 229.06353 148.5
[M-H]- 205.06703 145.9
[M+NH4]+ 224.10813 153.6
[M+K]+ 245.03747 145.3
[M+H-H2O]+ 189.07157 132.1
[M+HCOO]- 251.07251 161.6
[M+CH3COO]- 265.08816 189.7
[M+Na-2H]- 227.04898 143.3
[M]+ 206.07376 141.3
[M]- 206.07486 141.3
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