CID 90692

4-chlorophenylacetyl chloride

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
C1=CC(=CC=C1CC(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
InChIKey
UMQUIRYNOVNYPA-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1651
Patents

187.97957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98685 133.1
[M+Na]+ 210.96879 148.2
[M+NH4]+ 206.01339 142.9
[M+K]+ 226.94273 140.3
[M-H]- 186.97229 135.6
[M+Na-2H]- 208.95424 141.2
[M]+ 187.97902 136.7
[M]- 187.98012 136.7
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

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