CID 75356234

1,2-dichloro-4-(chloromethoxy)benzene

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=CC(=C(C=C1OCCl)Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-4-11-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
WTHHCOROBIAQNP-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(chloromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.9406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.947876 134.9
[M+Na]+ 232.929818 145.9
[M-H]- 208.933324 137.2
[M+NH4]+ 227.974423 155.3
[M+K]+ 248.903758 140.7
[M+H-H2O]+ 192.937860 132.2
[M+HCOO]- 254.938801 145.0
[M+CH3COO]- 268.954451 184.0
[M+Na-2H]- 230.915266 140.5
[M]+ 209.94005142 139.1
[M]- 209.94114858 139.1
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

No patent data available for this compound.