CID 87797

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

Structural Information

Molecular Formula
C8H8Br2O
SMILES
C1=CC(=CC=C1OCCBr)Br
InChI
InChI=1S/C8H8Br2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2
InChIKey
SRGBSEMMGLSUMI-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-bromoethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
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 144.9
[M+Na]+ 300.88342 140.6
[M+NH4]+ 295.92802 147.4
[M+K]+ 316.85736 146.3
[M-H]- 276.88692 146.0
[M+Na-2H]- 298.86887 147.2
[M]+ 277.89365 143.6
[M]- 277.89475 143.6
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

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