CID 43522829

83863-52-9

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCNC1CS(=O)(=O)C2=CC=CC=C12
InChI
InChI=1S/C10H13NO2S/c1-2-11-9-7-14(12,13)10-6-4-3-5-8(9)10/h3-6,9,11H,2,7H2,1H3
InChIKey
LTMBFZGPQJDUIM-UHFFFAOYSA-N
Compound name
N-ethyl-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.0667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 141.4
[M+Na]+ 234.055918 151.3
[M-H]- 210.059424 146.6
[M+NH4]+ 229.100523 165.7
[M+K]+ 250.029858 147.9
[M+H-H2O]+ 194.063960 136.9
[M+HCOO]- 256.064901 161.4
[M+CH3COO]- 270.080551 185.0
[M+Na-2H]- 232.041366 146.5
[M]+ 211.06615142 144.2
[M]- 211.06724858 144.2
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.