CID 117453

Benzene, 1-(3-chlorophenoxy)-3-phenoxy-

Structural Information

Molecular Formula
C18H13ClO2
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H13ClO2/c19-14-6-4-9-16(12-14)21-18-11-5-10-17(13-18)20-15-7-2-1-3-8-15/h1-13H
InChIKey
OGMFRPLBYVONFD-UHFFFAOYSA-N
Compound name
1-chloro-3-(3-phenoxyphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.0604 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06768 165.8
[M+Na]+ 319.04962 174.6
[M-H]- 295.05312 175.4
[M+NH4]+ 314.09422 181.4
[M+K]+ 335.02356 168.6
[M+H-H2O]+ 279.05766 157.4
[M+HCOO]- 341.05860 185.9
[M+CH3COO]- 355.07425 178.2
[M+Na-2H]- 317.03507 172.1
[M]+ 296.05985 169.4
[M]- 296.06095 169.4
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