CID 2507720

1-(2-bromoethoxy)-3-chlorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

233.94472 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe