CID 67153917

1298086-15-3

Structural Information

Molecular Formula
C22H20BrClO2
SMILES
CCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)Br)Cl)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20BrClO2/c1-2-25-19-11-8-17(9-12-19)22(20-14-18(23)10-13-21(20)24)26-15-16-6-4-3-5-7-16/h3-14,22H,2,15H2,1H3
InChIKey
BCXSFFOHQBIFOM-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-[(4-ethoxyphenyl)-phenylmethoxymethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

430.0335 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.04078 194.3
[M+Na]+ 453.02272 204.3
[M-H]- 429.02622 205.5
[M+NH4]+ 448.06732 208.5
[M+K]+ 468.99666 190.7
[M+H-H2O]+ 413.03076 192.1
[M+HCOO]- 475.03170 209.5
[M+CH3COO]- 489.04735 221.2
[M+Na-2H]- 451.00817 197.2
[M]+ 430.03295 217.2
[M]- 430.03405 217.2
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