CID 4060876

1,9-dibromo-2,8-dimethoxydibenzofuran

Structural Information

Molecular Formula
C14H10Br2O3
SMILES
COC1=C(C2=C(C=C1)OC3=C2C(=C(C=C3)OC)Br)Br
InChI
InChI=1S/C14H10Br2O3/c1-17-9-5-3-7-11(13(9)15)12-8(19-7)4-6-10(18-2)14(12)16/h3-6H,1-2H3
InChIKey
MNHOLBJNRVWNRV-UHFFFAOYSA-N
Compound name
1,9-dibromo-2,8-dimethoxydibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.89966 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.90694 163.6
[M+Na]+ 406.88888 176.9
[M-H]- 382.89238 173.2
[M+NH4]+ 401.93348 182.7
[M+K]+ 422.86282 163.9
[M+H-H2O]+ 366.89692 172.0
[M+HCOO]- 428.89786 179.8
[M+CH3COO]- 442.91351 178.2
[M+Na-2H]- 404.87433 170.4
[M]+ 383.89911 203.4
[M]- 383.90021 203.4
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

No patent data available for this compound.