CID 21511181

1-chloro-3-(chloromethoxy)benzene

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
C1=CC(=CC(=C1)Cl)OCCl
InChI
InChI=1S/C7H6Cl2O/c8-5-10-7-3-1-2-6(9)4-7/h1-4H,5H2
InChIKey
MCVOYWAEAFPEHY-UHFFFAOYSA-N
Compound name
1-chloro-3-(chloromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.97957 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 129.0
[M+Na]+ 198.96879 139.3
[M-H]- 174.97229 132.2
[M+NH4]+ 194.01339 150.6
[M+K]+ 214.94273 134.9
[M+H-H2O]+ 158.97683 125.5
[M+HCOO]- 220.97777 144.7
[M+CH3COO]- 234.99342 177.3
[M+Na-2H]- 196.95424 136.4
[M]+ 175.97902 132.9
[M]- 175.98012 132.9
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.