CID 220221

1,3,5-trichloro-2-[2-(2-chloroethoxy)ethoxy]benzene

Structural Information

Molecular Formula
C10H10Cl4O2
SMILES
C1=C(C=C(C(=C1Cl)OCCOCCCl)Cl)Cl
InChI
InChI=1S/C10H10Cl4O2/c11-1-2-15-3-4-16-10-8(13)5-7(12)6-9(10)14/h5-6H,1-4H2
InChIKey
FSIOOKJTULGVTQ-UHFFFAOYSA-N
Compound name
1,3,5-trichloro-2-[2-(2-chloroethoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.94348 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.95076 157.2
[M+Na]+ 324.93270 167.2
[M-H]- 300.93620 157.7
[M+NH4]+ 319.97730 173.7
[M+K]+ 340.90664 161.5
[M+H-H2O]+ 284.94074 154.4
[M+HCOO]- 346.94168 161.0
[M+CH3COO]- 360.95733 201.2
[M+Na-2H]- 322.91815 159.1
[M]+ 301.94293 163.0
[M]- 301.94403 163.0
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

patents stripe