CID 610720

1-(5-chloro-3-methyl-benzo[b]thiophen-2-yl)-ethanone

Structural Information

Molecular Formula
C11H9ClOS
SMILES
CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)C
InChI
InChI=1S/C11H9ClOS/c1-6-9-5-8(12)3-4-10(9)14-11(6)7(2)13/h3-5H,1-2H3
InChIKey
FQFYTUVWAHAYMK-UHFFFAOYSA-N
Compound name
1-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

224.00627 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01355 144.2
[M+Na]+ 246.99549 157.0
[M-H]- 222.99899 150.4
[M+NH4]+ 242.04009 167.8
[M+K]+ 262.96943 151.8
[M+H-H2O]+ 207.00353 140.6
[M+HCOO]- 269.00447 159.8
[M+CH3COO]- 283.02012 187.5
[M+Na-2H]- 244.98094 146.2
[M]+ 224.00572 151.6
[M]- 224.00682 151.6
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