CID 4590299

1-chloro-2-[4-(2-chlorophenoxy)but-2-enoxy]benzene

Structural Information

Molecular Formula
C16H14Cl2O2
SMILES
C1=CC=C(C(=C1)OCC=CCOC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C16H14Cl2O2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-10H,11-12H2
InChIKey
YHALUTJBMMSPIJ-UHFFFAOYSA-N
Compound name
1-chloro-2-[4-(2-chlorophenoxy)but-2-enoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

308.03708 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04436 166.7
[M+Na]+ 331.02630 175.9
[M-H]- 307.02980 172.4
[M+NH4]+ 326.07090 182.9
[M+K]+ 347.00024 168.8
[M+H-H2O]+ 291.03434 160.3
[M+HCOO]- 353.03528 181.3
[M+CH3COO]- 367.05093 201.0
[M+Na-2H]- 329.01175 170.9
[M]+ 308.03653 172.7
[M]- 308.03763 172.7
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