CID 22399504

1-(2-chlorophenyl)-2-(4-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C14H10ClFO
SMILES
C1=CC=C(C(=C1)C(=O)CC2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C14H10ClFO/c15-13-4-2-1-3-12(13)14(17)9-10-5-7-11(16)8-6-10/h1-8H,9H2
InChIKey
JAKXQTAJSUAEJA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.04042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04770 150.3
[M+Na]+ 271.02964 159.7
[M-H]- 247.03314 155.8
[M+NH4]+ 266.07424 168.4
[M+K]+ 287.00358 153.9
[M+H-H2O]+ 231.03768 143.2
[M+HCOO]- 293.03862 168.5
[M+CH3COO]- 307.05427 192.8
[M+Na-2H]- 269.01509 154.7
[M]+ 248.03987 151.5
[M]- 248.04097 151.5
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