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]+ 198.99790 136.4
[M+Na]+ 220.97984 151.6
[M+NH4]+ 216.02444 147.3
[M+K]+ 236.95378 143.4
[M-H]- 196.98334 139.6
[M+Na-2H]- 218.96529 143.1
[M]+ 197.99007 140.4
[M]- 197.99117 140.4
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.