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]+ 210.94788 134.9
[M+Na]+ 232.92982 145.9
[M-H]- 208.93332 137.2
[M+NH4]+ 227.97442 155.3
[M+K]+ 248.90376 140.7
[M+H-H2O]+ 192.93786 132.2
[M+HCOO]- 254.93880 145.0
[M+CH3COO]- 268.95445 184.0
[M+Na-2H]- 230.91527 140.5
[M]+ 209.94005 139.1
[M]- 209.94115 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.