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

95
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 139.0
[M+Na]+ 250.89593 149.1
[M-H]- 226.89943 139.4
[M+NH4]+ 245.94053 157.9
[M+K]+ 266.86987 143.3
[M+H-H2O]+ 210.90397 136.9
[M+HCOO]- 272.90491 142.2
[M+CH3COO]- 286.92056 189.3
[M+Na-2H]- 248.88138 141.9
[M]+ 227.90616 140.2
[M]- 227.90726 140.2
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