CID 2729617

1,5-dibromo-2,4-dimethoxybenzene

Structural Information

Molecular Formula
C8H8Br2O2
SMILES
COC1=CC(=C(C=C1Br)Br)OC
InChI
InChI=1S/C8H8Br2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
InChIKey
SVPXSTJZZSDWIA-UHFFFAOYSA-N
Compound name
1,5-dibromo-2,4-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

293.8891 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.89638 137.1
[M+Na]+ 316.87832 149.1
[M-H]- 292.88182 144.4
[M+NH4]+ 311.92292 156.9
[M+K]+ 332.85226 134.6
[M+H-H2O]+ 276.88636 145.2
[M+HCOO]- 338.88730 154.2
[M+CH3COO]- 352.90295 203.3
[M+Na-2H]- 314.86377 144.5
[M]+ 293.88855 173.6
[M]- 293.88965 173.6
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