CID 11062812

7-chlorobenzo[b]thiophene

Structural Information

Molecular Formula
C8H5ClS
SMILES
C1=CC2=C(C(=C1)Cl)SC=C2
InChI
InChI=1S/C8H5ClS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKey
GKWIITWUDNYXMG-UHFFFAOYSA-N
Compound name
7-chloro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

167.98004 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98732 128.1
[M+Na]+ 190.96926 143.9
[M+NH4]+ 186.01386 140.2
[M+K]+ 206.94320 134.8
[M-H]- 166.97276 132.4
[M+Na-2H]- 188.95471 136.6
[M]+ 167.97949 132.6
[M]- 167.98059 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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