CID 12276449

59297-29-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
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 144.3
[M+Na]+ 300.88342 140.2
[M+NH4]+ 295.92802 146.8
[M+K]+ 316.85736 146.0
[M-H]- 276.88692 145.4
[M+Na-2H]- 298.86887 146.5
[M]+ 277.89365 143.0
[M]- 277.89475 143.0
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