CID 2733982

1-(2,6-dichloro-3-fluorophenyl)ethanone

Structural Information

Molecular Formula
C8H5Cl2FO
SMILES
CC(=O)C1=C(C=CC(=C1Cl)F)Cl
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3
InChIKey
VJBFZHHRVCPAPZ-UHFFFAOYSA-N
Compound name
1-(2,6-dichloro-3-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

370
Patents

205.97015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.977426 132.4
[M+Na]+ 228.959368 144.2
[M-H]- 204.962874 135.0
[M+NH4]+ 224.003973 153.4
[M+K]+ 244.933308 139.1
[M+H-H2O]+ 188.967410 128.5
[M+HCOO]- 250.968351 146.1
[M+CH3COO]- 264.984001 185.0
[M+Na-2H]- 226.944816 136.4
[M]+ 205.96960142 135.2
[M]- 205.97069858 135.2
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