CID 521183

3'-fluoropropiophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

152.06374 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe