CID 93346

3,4,4'-trichlorodiphenyl ether

Structural Information

Molecular Formula
C12H7Cl3O
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl3O/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H
InChIKey
FTZDEZOARSJHGU-UHFFFAOYSA-N
Compound name
1,2-dichloro-4-(4-chlorophenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.95624 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96352 151.7
[M+Na]+ 294.94546 163.0
[M-H]- 270.94896 156.9
[M+NH4]+ 289.99006 169.6
[M+K]+ 310.91940 156.3
[M+H-H2O]+ 254.95350 147.1
[M+HCOO]- 316.95444 161.6
[M+CH3COO]- 330.97009 164.3
[M+Na-2H]- 292.93091 156.3
[M]+ 271.95569 156.2
[M]- 271.95679 156.2
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.