CID 483589

1-bromo-3,8-dichloro-6-methyl-dibenzofuran

Structural Information

Molecular Formula
C13H7BrCl2O
SMILES
CC1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Br)Cl
InChI
InChI=1S/C13H7BrCl2O/c1-6-2-7(15)3-9-12-10(14)4-8(16)5-11(12)17-13(6)9/h2-5H,1H3
InChIKey
ZJEDBPDXYXWFLA-UHFFFAOYSA-N
Compound name
1-bromo-3,8-dichloro-6-methyldibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.90573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.91301 163.2
[M+Na]+ 350.89495 181.4
[M-H]- 326.89845 172.5
[M+NH4]+ 345.93955 186.0
[M+K]+ 366.86889 167.8
[M+H-H2O]+ 310.90299 165.5
[M+HCOO]- 372.90393 175.6
[M+CH3COO]- 386.91958 179.3
[M+Na-2H]- 348.88040 170.1
[M]+ 327.90518 189.1
[M]- 327.90628 189.1
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