CID 131195513

4-chloro-6-methyl-1-benzothiophen-5-ol

Structural Information

Molecular Formula
C9H7ClOS
SMILES
CC1=CC2=C(C=CS2)C(=C1O)Cl
InChI
InChI=1S/C9H7ClOS/c1-5-4-7-6(2-3-12-7)8(10)9(5)11/h2-4,11H,1H3
InChIKey
REPDKHSVKDPUCX-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-1-benzothiophen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.997896 135.7
[M+Na]+ 220.979838 149.1
[M-H]- 196.983344 140.7
[M+NH4]+ 216.024443 159.8
[M+K]+ 236.953778 143.5
[M+H-H2O]+ 180.987880 132.7
[M+HCOO]- 242.988821 151.4
[M+CH3COO]- 257.004471 151.0
[M+Na-2H]- 218.965286 139.5
[M]+ 197.99007142 141.8
[M]- 197.99116858 141.8
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

No patent data available for this compound.