CID 34140

Bis(2,4-dichlorophenyl)ether

Structural Information

Molecular Formula
C12H6Cl4O
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H6Cl4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H
InChIKey
ZRWRPGGXCSSBAO-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-(2,4-dichlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

230
Patents

305.91727 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92455 158.2
[M+Na]+ 328.90649 169.6
[M-H]- 304.90999 161.7
[M+NH4]+ 323.95109 174.5
[M+K]+ 344.88043 162.9
[M+H-H2O]+ 288.91453 154.1
[M+HCOO]- 350.91547 162.3
[M+CH3COO]- 364.93112 169.4
[M+Na-2H]- 326.89194 160.5
[M]+ 305.91672 162.1
[M]- 305.91782 162.1
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