CID 52735

73927-56-7

Structural Information

Molecular Formula
C14H10Cl4O
SMILES
C1=CC(=C(C(=C1)Cl)COCC2=C(C=CC=C2Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4O/c15-11-3-1-4-12(16)9(11)7-19-8-10-13(17)5-2-6-14(10)18/h1-6H,7-8H2
InChIKey
ITFCEERPJPLHPQ-UHFFFAOYSA-N
Compound name
1,3-dichloro-2-[(2,6-dichlorophenyl)methoxymethyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

588
Patents

333.94858 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95586 167.1
[M+Na]+ 356.93780 177.7
[M-H]- 332.94130 170.3
[M+NH4]+ 351.98240 182.3
[M+K]+ 372.91174 170.6
[M+H-H2O]+ 316.94584 162.5
[M+HCOO]- 378.94678 170.6
[M+CH3COO]- 392.96243 207.3
[M+Na-2H]- 354.92325 168.3
[M]+ 333.94803 171.7
[M]- 333.94913 171.7
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