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

7
Patents

206.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.081586 139.6
[M+Na]+ 229.063528 148.5
[M-H]- 205.067034 145.9
[M+NH4]+ 224.108133 153.6
[M+K]+ 245.037468 145.3
[M+H-H2O]+ 189.071570 132.1
[M+HCOO]- 251.072511 161.6
[M+CH3COO]- 265.088161 189.7
[M+Na-2H]- 227.048976 143.3
[M]+ 206.07376142 141.3
[M]- 206.07485858 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