CID 11021812

3,5-dibromoanisole

Structural Information

Molecular Formula
C7H6Br2O
SMILES
COC1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C7H6Br2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
OQZAQBGJENJMHT-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5445
Patents

263.87854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.88582 140.8
[M+Na]+ 286.86776 136.8
[M+NH4]+ 281.91236 143.4
[M+K]+ 302.84170 142.8
[M-H]- 262.87126 141.9
[M+Na-2H]- 284.85321 143.2
[M]+ 263.87799 139.5
[M]- 263.87909 139.5
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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