CID 59580179

4-chloro-1-benzothiophen-5-ol

Structural Information

Molecular Formula
C8H5ClOS
SMILES
C1=CC2=C(C=CS2)C(=C1O)Cl
InChI
InChI=1S/C8H5ClOS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,10H
InChIKey
XKWPVOWJPBOORD-UHFFFAOYSA-N
Compound name
4-chloro-1-benzothiophen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.97496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.98224 131.7
[M+Na]+ 206.96418 146.8
[M+NH4]+ 202.00878 142.8
[M+K]+ 222.93812 138.6
[M-H]- 182.96768 134.9
[M+Na-2H]- 204.94963 138.9
[M]+ 183.97441 135.7
[M]- 183.97551 135.7
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