CID 631120

2,8-dibromodibenzothiophene

Structural Information

Molecular Formula
C12H6Br2S
SMILES
C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br
InChI
InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKey
WNEXSUAHKVAPFK-UHFFFAOYSA-N
Compound name
2,8-dibromodibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

766
Patents

339.8557 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.862976 140.9
[M+Na]+ 362.844918 155.8
[M-H]- 338.848424 150.6
[M+NH4]+ 357.889523 163.4
[M+K]+ 378.818858 140.4
[M+H-H2O]+ 322.852960 151.3
[M+HCOO]- 384.853901 155.1
[M+CH3COO]- 398.869551 156.9
[M+Na-2H]- 360.830366 148.8
[M]+ 339.85515142 178.6
[M]- 339.85624858 178.6
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