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

45
Patents

241.9401 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.947376 135.8
[M+Na]+ 264.929318 151.5
[M-H]- 240.932824 144.6
[M+NH4]+ 259.973923 161.3
[M+K]+ 280.903258 140.2
[M+H-H2O]+ 224.937360 137.6
[M+HCOO]- 286.938301 155.6
[M+CH3COO]- 300.953951 153.3
[M+Na-2H]- 262.914766 142.8
[M]+ 241.93955142 159.9
[M]- 241.94064858 159.9
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