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

115
Patents

277.8942 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.901476 135.8
[M+Na]+ 300.883418 147.4
[M-H]- 276.886924 142.9
[M+NH4]+ 295.928023 156.0
[M+K]+ 316.857358 132.5
[M+H-H2O]+ 260.891460 144.2
[M+HCOO]- 322.892401 152.8
[M+CH3COO]- 336.908051 200.9
[M+Na-2H]- 298.868866 143.7
[M]+ 277.89365142 171.0
[M]- 277.89474858 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

No literature data available for this compound.

Patent stripe

patents stripe