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

133
Patents

233.94472 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe