CID 43799529

1-(2-fluorophenyl)-2-methoxyethan-1-one

Structural Information

Molecular Formula
C9H9FO2
SMILES
COCC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C9H9FO2/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKey
LPMRDOFABLRVPK-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.05865 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06593 134.0
[M+Na]+ 191.04787 146.2
[M+NH4]+ 186.09247 141.9
[M+K]+ 207.02181 140.0
[M-H]- 167.05137 134.5
[M+Na-2H]- 189.03332 140.4
[M]+ 168.05810 135.7
[M]- 168.05920 135.7
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