CID 626162

2,5-dibromobenzo[b]thiophene

Structural Information

Molecular Formula
C8H4Br2S
SMILES
C1=CC2=C(C=C1Br)C=C(S2)Br
InChI
InChI=1S/C8H4Br2S/c9-6-1-2-7-5(3-6)4-8(10)11-7/h1-4H
InChIKey
JCHZJOMEFKCNLK-UHFFFAOYSA-N
Compound name
2,5-dibromo-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.84006 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.84734 128.2
[M+Na]+ 312.82928 143.2
[M-H]- 288.83278 137.3
[M+NH4]+ 307.87388 151.5
[M+K]+ 328.80322 127.8
[M+H-H2O]+ 272.83732 138.4
[M+HCOO]- 334.83826 143.5
[M+CH3COO]- 348.85391 145.0
[M+Na-2H]- 310.81473 136.2
[M]+ 289.83951 165.4
[M]- 289.84061 165.4
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

patents stripe