CID 43522827

1423034-60-9

Structural Information

Molecular Formula
C9H11NO2S
SMILES
CNC1CS(=O)(=O)C2=CC=CC=C12
InChI
InChI=1S/C9H11NO2S/c1-10-8-6-13(11,12)9-5-3-2-4-7(8)9/h2-5,8,10H,6H2,1H3
InChIKey
MOIJSRIXTSAOOT-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.05106 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.058336 136.9
[M+Na]+ 220.040278 147.3
[M-H]- 196.043784 142.3
[M+NH4]+ 215.084883 161.8
[M+K]+ 236.014218 144.1
[M+H-H2O]+ 180.048320 132.7
[M+HCOO]- 242.049261 157.3
[M+CH3COO]- 256.064911 182.0
[M+Na-2H]- 218.025726 142.5
[M]+ 197.05051142 139.4
[M]- 197.05160858 139.4
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