CID 81283

3,4'-dichlorodiphenyl ether

Structural Information

Molecular Formula
C12H8Cl2O
SMILES
C1=CC(=CC(=C1)Cl)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H8Cl2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H
InChIKey
HPRGYUWRGCTBAV-UHFFFAOYSA-N
Compound name
1-chloro-3-(4-chlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

237.99522 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00250 145.8
[M+Na]+ 260.98444 156.4
[M-H]- 236.98794 152.1
[M+NH4]+ 256.02904 164.9
[M+K]+ 276.95838 150.3
[M+H-H2O]+ 220.99248 140.4
[M+HCOO]- 282.99342 161.3
[M+CH3COO]- 297.00907 159.4
[M+Na-2H]- 258.96989 152.2
[M]+ 237.99467 149.7
[M]- 237.99577 149.7
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