CID 117894204

1427430-30-5

Structural Information

Molecular Formula
C9H7BrOS
SMILES
COC1=C(C=C2C=CSC2=C1)Br
InChI
InChI=1S/C9H7BrOS/c1-11-8-5-9-6(2-3-12-9)4-7(8)10/h2-5H,1H3
InChIKey
CEBUUHQBDAZOGH-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

241.9401 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94738 133.0
[M+Na]+ 264.92932 137.8
[M+NH4]+ 259.97392 139.9
[M+K]+ 280.90326 136.8
[M-H]- 240.93282 134.9
[M+Na-2H]- 262.91477 137.5
[M]+ 241.93955 133.6
[M]- 241.94065 133.6
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