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]+ 198.99790 136.1
[M+Na]+ 220.97984 149.1
[M-H]- 196.98334 142.2
[M+NH4]+ 216.02444 160.6
[M+K]+ 236.95378 144.5
[M+H-H2O]+ 180.98788 132.5
[M+HCOO]- 242.98882 153.3
[M+CH3COO]- 257.00447 151.7
[M+Na-2H]- 218.96529 140.9
[M]+ 197.99007 143.6
[M]- 197.99117 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