CID 21822889

34576-61-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 135.8
[M+Na]+ 264.92932 151.5
[M-H]- 240.93282 144.6
[M+NH4]+ 259.97392 161.3
[M+K]+ 280.90326 140.2
[M+H-H2O]+ 224.93736 137.6
[M+HCOO]- 286.93830 155.6
[M+CH3COO]- 300.95395 153.3
[M+Na-2H]- 262.91477 142.8
[M]+ 241.93955 159.9
[M]- 241.94065 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