CID 68004

456-03-1

Structural Information

Molecular Formula
C9H9FO
SMILES
CCC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey
QIJNVLLXIIPXQT-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1047
Patents

152.06374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 127.8
[M+Na]+ 175.05296 136.2
[M-H]- 151.05646 130.5
[M+NH4]+ 170.09756 149.1
[M+K]+ 191.02690 134.4
[M+H-H2O]+ 135.06100 121.6
[M+HCOO]- 197.06194 150.8
[M+CH3COO]- 211.07759 177.2
[M+Na-2H]- 173.03841 133.6
[M]+ 152.06319 127.1
[M]- 152.06429 127.1
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