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

5
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

literature stripe

Patent stripe

patents stripe