CID 7021468

207974-13-8

Structural Information

Molecular Formula
C14H10Cl4O
SMILES
C1=CC(=C(C=C1Cl)Cl)COCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl4O/c15-11-3-1-9(13(17)5-11)7-19-8-10-2-4-12(16)6-14(10)18/h1-6H,7-8H2
InChIKey
NWYHVMDKERUNLM-UHFFFAOYSA-N
Compound name
2,4-dichloro-1-[(2,4-dichlorophenyl)methoxymethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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

No literature data available for this compound.

Patent stripe

patents stripe