CID 2758147

53056-20-5

Structural Information

Molecular Formula
C8H5Cl3O
SMILES
C1=CC(=C(C=C1Cl)Cl)CC(=O)Cl
InChI
InChI=1S/C8H5Cl3O/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2
InChIKey
RYXAJKPGHHNCSO-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

221.9406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.94788 140.1
[M+Na]+ 244.92982 155.5
[M+NH4]+ 239.97442 149.5
[M+K]+ 260.90376 147.3
[M-H]- 220.93332 142.1
[M+Na-2H]- 242.91527 147.6
[M]+ 221.94005 143.8
[M]- 221.94115 143.8
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