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

2922
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

literature stripe

Patent stripe

patents stripe