CID 2384209

1-bromo-3-(2-bromoethoxy)benzene

Structural Information

Molecular Formula
C8H8Br2O
SMILES
C1=CC(=CC(=C1)Br)OCCBr
InChI
InChI=1S/C8H8Br2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,4-5H2
InChIKey
CKXSBCXRNZGJJN-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-bromoethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

277.8942 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 136.5
[M+Na]+ 300.88342 147.4
[M-H]- 276.88692 143.4
[M+NH4]+ 295.92802 156.5
[M+K]+ 316.85736 132.6
[M+H-H2O]+ 260.89146 144.9
[M+HCOO]- 322.89240 153.6
[M+CH3COO]- 336.90805 200.1
[M+Na-2H]- 298.86887 145.0
[M]+ 277.89365 171.5
[M]- 277.89475 171.5
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