CID 165949773

2703782-03-8

Structural Information

Molecular Formula
C9H11NO3S
SMILES
COC1=C(C=CC2=C1CCS2(=O)=O)N
InChI
InChI=1S/C9H11NO3S/c1-13-9-6-4-5-14(11,12)8(6)3-2-7(9)10/h2-3H,4-5,10H2,1H3
InChIKey
HFTKMMFKKFBZIZ-UHFFFAOYSA-N
Compound name
4-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 140.0
[M+Na]+ 236.03518 151.1
[M-H]- 212.03868 145.2
[M+NH4]+ 231.07978 164.2
[M+K]+ 252.00912 148.0
[M+H-H2O]+ 196.04322 136.0
[M+HCOO]- 258.04416 159.9
[M+CH3COO]- 272.05981 184.7
[M+Na-2H]- 234.02063 144.3
[M]+ 213.04541 143.4
[M]- 213.04651 143.4
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

No patent data available for this compound.