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 151.3
[M+Na]+ 264.02202 161.4
[M-H]- 240.02552 157.8
[M+NH4]+ 259.06662 174.2
[M+K]+ 279.99596 157.3
[M+H-H2O]+ 224.03006 146.9
[M+HCOO]- 286.03100 166.4
[M+CH3COO]- 300.04665 195.4
[M+Na-2H]- 262.00747 152.4
[M]+ 241.03225 156.8
[M]- 241.03335 156.8
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.