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 131.4
[M+Na]+ 206.96418 144.4
[M-H]- 182.96768 136.3
[M+NH4]+ 202.00878 155.8
[M+K]+ 222.93812 139.1
[M+H-H2O]+ 166.97222 128.4
[M+HCOO]- 228.97316 147.5
[M+CH3COO]- 242.98881 146.8
[M+Na-2H]- 204.94963 136.4
[M]+ 183.97441 136.8
[M]- 183.97551 136.8
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

patents stripe