CID 14819352

128104-93-8

Structural Information

Molecular Formula
C9H6Br2S
SMILES
C1=CC2=C(C=C1Br)C=C(S2)CBr
InChI
InChI=1S/C9H6Br2S/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4H,5H2
InChIKey
ZIYHWMODTVOWAT-UHFFFAOYSA-N
Compound name
5-bromo-2-(bromomethyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

303.8557 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.86298 132.3
[M+Na]+ 326.84492 147.0
[M-H]- 302.84842 141.3
[M+NH4]+ 321.88952 155.2
[M+K]+ 342.81886 131.4
[M+H-H2O]+ 286.85296 142.4
[M+HCOO]- 348.85390 147.3
[M+CH3COO]- 362.86955 148.8
[M+Na-2H]- 324.83037 139.8
[M]+ 303.85515 169.8
[M]- 303.85625 169.8
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