CID 82125088

1-(3-fluorophenyl)propane-1,2-dione

Structural Information

Molecular Formula
C9H7FO2
SMILES
CC(=O)C(=O)C1=CC(=CC=C1)F
InChI
InChI=1S/C9H7FO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-5H,1H3
InChIKey
FVXJGNSSBYPBFW-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

166.04301 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 129.6
[M+Na]+ 189.03223 138.0
[M-H]- 165.03573 132.4
[M+NH4]+ 184.07683 150.1
[M+K]+ 205.00617 136.5
[M+H-H2O]+ 149.04027 123.4
[M+HCOO]- 211.04121 152.0
[M+CH3COO]- 225.05686 179.1
[M+Na-2H]- 187.01768 134.2
[M]+ 166.04246 129.0
[M]- 166.04356 129.0
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