CID 130063025

6-chloro-7-methoxy-1-benzothiophene

Structural Information

Molecular Formula
C9H7ClOS
SMILES
COC1=C(C=CC2=C1SC=C2)Cl
InChI
InChI=1S/C9H7ClOS/c1-11-8-7(10)3-2-6-4-5-12-9(6)8/h2-5H,1H3
InChIKey
GWDXVOPMTSTDOM-UHFFFAOYSA-N
Compound name
6-chloro-7-methoxy-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.99062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.997896 136.1
[M+Na]+ 220.979838 149.1
[M-H]- 196.983344 142.2
[M+NH4]+ 216.024443 160.6
[M+K]+ 236.953778 144.5
[M+H-H2O]+ 180.987880 132.5
[M+HCOO]- 242.988821 153.3
[M+CH3COO]- 257.004471 151.7
[M+Na-2H]- 218.965286 140.9
[M]+ 197.99007142 143.6
[M]- 197.99116858 143.6
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