CID 130955248

5-bromo-4-chloro-6-methyl-1-benzothiophene

Structural Information

Molecular Formula
C9H6BrClS
SMILES
CC1=CC2=C(C=CS2)C(=C1Br)Cl
InChI
InChI=1S/C9H6BrClS/c1-5-4-7-6(2-3-12-7)9(11)8(5)10/h2-4H,1H3
InChIKey
QEFKEXGCXMNWRQ-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-methyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.90622 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.91350 136.2
[M+Na]+ 282.89544 142.6
[M+NH4]+ 277.94004 143.9
[M+K]+ 298.86938 140.4
[M-H]- 258.89894 138.6
[M+Na-2H]- 280.88089 140.9
[M]+ 259.90567 137.5
[M]- 259.90677 137.5
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.