CID 74854

1-(2-bromoethoxy)-4-chlorobenzene

Structural Information

Molecular Formula
C8H8BrClO
SMILES
C1=CC(=CC=C1OCCBr)Cl
InChI
InChI=1S/C8H8BrClO/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
YYFLBDSMQRWARK-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-4-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

408
Patents

233.94472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.95200 137.8
[M+Na]+ 256.93394 150.8
[M-H]- 232.93744 144.3
[M+NH4]+ 251.97854 160.5
[M+K]+ 272.90788 138.6
[M+H-H2O]+ 216.94198 139.2
[M+HCOO]- 278.94292 156.1
[M+CH3COO]- 292.95857 185.7
[M+Na-2H]- 254.91939 146.6
[M]+ 233.94417 159.5
[M]- 233.94527 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