CID 53418032

4-bromo-1-(bromomethyl)-2-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
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

No literature data available for this compound.

Patent stripe

patents stripe