CID 12751635

3-fluorophenylacetyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

220
Patents

172.00912 Da
Monoisotopic Mass

2.6
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