CID 119907

1-(chloromethyl)-4-[4-(chloromethyl)phenoxy]benzene

Structural Information

Molecular Formula
C14H12Cl2O
SMILES
C1=CC(=CC=C1CCl)OC2=CC=C(C=C2)CCl
InChI
InChI=1S/C14H12Cl2O/c15-9-11-1-5-13(6-2-11)17-14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey
ONXYNIGRSCRZNU-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-[4-(chloromethyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

266.02652 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.033796 155.2
[M+Na]+ 289.015738 164.9
[M-H]- 265.019244 161.1
[M+NH4]+ 284.060343 173.1
[M+K]+ 304.989678 158.3
[M+H-H2O]+ 249.023780 149.4
[M+HCOO]- 311.024721 170.0
[M+CH3COO]- 325.040371 194.6
[M+Na-2H]- 287.001186 160.5
[M]+ 266.02597142 159.8
[M]- 266.02706858 159.8
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

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