CID 9828

4'-fluoroacetophenone

Structural Information

Molecular Formula
C8H7FO
SMILES
CC(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey
ZDPAWHACYDRYIW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

5766
Patents

138.0481 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 122.9
[M+Na]+ 161.037318 131.9
[M-H]- 137.040824 125.8
[M+NH4]+ 156.081923 144.9
[M+K]+ 177.011258 130.3
[M+H-H2O]+ 121.045360 117.1
[M+HCOO]- 183.046301 146.3
[M+CH3COO]- 197.061951 174.1
[M+Na-2H]- 159.022766 129.4
[M]+ 138.04755142 121.9
[M]- 138.04864858 121.9
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