CID 3525951

2-bromo-5-methoxybenzyl bromide

Structural Information

Molecular Formula
C8H8Br2O
SMILES
COC1=CC(=C(C=C1)Br)CBr
InChI
InChI=1S/C8H8Br2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
InChIKey
MURVUTUZSUEIGI-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

500
Patents

277.8942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90148 135.8
[M+Na]+ 300.88342 147.4
[M-H]- 276.88692 142.9
[M+NH4]+ 295.92802 156.0
[M+K]+ 316.85736 132.5
[M+H-H2O]+ 260.89146 144.2
[M+HCOO]- 322.89240 152.8
[M+CH3COO]- 336.90805 200.9
[M+Na-2H]- 298.86887 143.7
[M]+ 277.89365 171.0
[M]- 277.89475 171.0
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