CID 319899

1-(4-chlorophenyl)-2-fluoroethan-1-one

Structural Information

Molecular Formula
C8H6ClFO
SMILES
C1=CC(=CC=C1C(=O)CF)Cl
InChI
InChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
InChIKey
PYJRFTYRPATKFJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-fluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

172.00912 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01640 128.6
[M+Na]+ 194.99834 138.3
[M-H]- 171.00184 131.2
[M+NH4]+ 190.04294 150.0
[M+K]+ 210.97228 134.6
[M+H-H2O]+ 155.00638 123.4
[M+HCOO]- 217.00732 147.4
[M+CH3COO]- 231.02297 178.0
[M+Na-2H]- 192.98379 134.6
[M]+ 172.00857 129.6
[M]- 172.00967 129.6
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