CID 606402

1,2-dichloro-3-(dichloromethyl)benzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

272
Patents

227.90671 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.913986 139.0
[M+Na]+ 250.895928 149.1
[M-H]- 226.899434 139.4
[M+NH4]+ 245.940533 157.9
[M+K]+ 266.869868 143.3
[M+H-H2O]+ 210.903970 136.9
[M+HCOO]- 272.904911 142.2
[M+CH3COO]- 286.920561 189.3
[M+Na-2H]- 248.881376 141.9
[M]+ 227.90616142 140.2
[M]- 227.90725858 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

No literature data available for this compound.

Patent stripe

patents stripe