CID 120248

2-chloro-4'-fluoroacetophenone

Structural Information

Molecular Formula
C8H6ClFO
SMILES
C1=CC(=CC=C1C(=O)CCl)F
InChI
InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
UJZWJOQRSMOFMA-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

888
Patents

172.00912 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01640 130.1
[M+Na]+ 194.99834 143.6
[M+NH4]+ 190.04294 138.9
[M+K]+ 210.97228 136.5
[M-H]- 171.00184 131.1
[M+Na-2H]- 192.98379 137.4
[M]+ 172.00857 132.5
[M]- 172.00967 132.5
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