CID 6671

2,6-dichlorobenzal chloride

Structural Information

Molecular Formula
C7H4Cl4
SMILES
C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
InChIKey
QQPXXHAEIGVZKQ-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-(dichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

227.90671 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.91399 143.6
[M+Na]+ 250.89593 159.1
[M+NH4]+ 245.94053 153.2
[M+K]+ 266.86987 150.3
[M-H]- 226.89943 145.6
[M+Na-2H]- 248.88138 151.0
[M]+ 227.90616 147.6
[M]- 227.90726 147.6
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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