CID 11155

Bis(p-chlorophenoxy)methane

Structural Information

Molecular Formula
C13H10Cl2O2
SMILES
C1=CC(=CC=C1OCOC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2O2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-8H,9H2
InChIKey
COVKSLBAQCJQMS-UHFFFAOYSA-N
Compound name
1-chloro-4-[(4-chlorophenoxy)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2609
Patents

268.0058 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01308 153.3
[M+Na]+ 290.99502 163.4
[M-H]- 266.99852 159.5
[M+NH4]+ 286.03962 171.2
[M+K]+ 306.96896 157.7
[M+H-H2O]+ 251.00306 147.6
[M+HCOO]- 313.00400 168.8
[M+CH3COO]- 327.01965 193.7
[M+Na-2H]- 288.98047 159.3
[M]+ 268.00525 159.1
[M]- 268.00635 159.1
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.