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 135.7
[M+Na]+ 220.97984 149.1
[M-H]- 196.98334 140.7
[M+NH4]+ 216.02444 159.8
[M+K]+ 236.95378 143.5
[M+H-H2O]+ 180.98788 132.7
[M+HCOO]- 242.98882 151.4
[M+CH3COO]- 257.00447 151.0
[M+Na-2H]- 218.96529 139.5
[M]+ 197.99007 141.8
[M]- 197.99117 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.