CID 9996449

4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene

Structural Information

Molecular Formula
C15H14BrClO
SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl
InChI
InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
InChIKey
ZUNCHZBITMUSRD-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

323.99167 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99895 163.6
[M+Na]+ 346.98089 176.3
[M-H]- 322.98439 172.8
[M+NH4]+ 342.02549 182.9
[M+K]+ 362.95483 162.7
[M+H-H2O]+ 306.98893 163.5
[M+HCOO]- 368.98987 180.8
[M+CH3COO]- 383.00552 203.2
[M+Na-2H]- 344.96634 169.4
[M]+ 323.99112 186.1
[M]- 323.99222 186.1
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

patents stripe