CID 3062390

97874-38-9

Structural Information

Molecular Formula
C11H12ClNOS
SMILES
CN(C)CC1C2=C(C=C(C=C2)Cl)C(=O)S1
InChI
InChI=1S/C11H12ClNOS/c1-13(2)6-10-8-4-3-7(12)5-9(8)11(14)15-10/h3-5,10H,6H2,1-2H3
InChIKey
MLJSBBXJVNYDIM-UHFFFAOYSA-N
Compound name
6-chloro-3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04008 150.5
[M+Na]+ 264.02202 162.9
[M+NH4]+ 259.06662 160.8
[M+K]+ 279.99596 155.3
[M-H]- 240.02552 154.0
[M+Na-2H]- 262.00747 155.5
[M]+ 241.03225 154.1
[M]- 241.03335 154.1
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.