CID 2758147

(2,4-dichlorophenyl)acetyl chloride

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

180
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 137.9
[M+Na]+ 244.92982 148.5
[M-H]- 220.93332 140.2
[M+NH4]+ 239.97442 157.7
[M+K]+ 260.90376 142.8
[M+H-H2O]+ 204.93786 135.2
[M+HCOO]- 266.93880 147.0
[M+CH3COO]- 280.95445 186.8
[M+Na-2H]- 242.91527 141.8
[M]+ 221.94005 141.3
[M]- 221.94115 141.3
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