CID 4191536

1,2-bis(2-chlorophenoxy)ethane

Structural Information

Molecular Formula
C14H12Cl2O2
SMILES
C1=CC=C(C(=C1)OCCOC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C14H12Cl2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10H2
InChIKey
QDOWIWBKEVWTFI-UHFFFAOYSA-N
Compound name
1-chloro-2-[2-(2-chlorophenoxy)ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

282.02142 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02870 158.0
[M+Na]+ 305.01064 167.6
[M-H]- 281.01414 164.0
[M+NH4]+ 300.05524 175.3
[M+K]+ 320.98458 161.7
[M+H-H2O]+ 265.01868 152.0
[M+HCOO]- 327.01962 173.1
[M+CH3COO]- 341.03527 196.6
[M+Na-2H]- 302.99609 163.4
[M]+ 282.02087 164.1
[M]- 282.02197 164.1
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