CID 108680

1-bromo-4-(2-chloroethoxy)benzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC(=CC=C1OCCCl)Br
InChI
InChI=1S/C8H8BrClO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6H2
InChIKey
VRODDNARFBDTNM-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-chloroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

233.94472 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.951996 137.8
[M+Na]+ 256.933938 150.8
[M-H]- 232.937444 144.3
[M+NH4]+ 251.978543 160.5
[M+K]+ 272.907878 138.6
[M+H-H2O]+ 216.941980 139.2
[M+HCOO]- 278.942921 156.1
[M+CH3COO]- 292.958571 185.7
[M+Na-2H]- 254.919386 146.6
[M]+ 233.94417142 159.5
[M]- 233.94526858 159.5
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