CID 131285504

2090266-19-4

Structural Information

Molecular Formula
C8H8BrNO2S
SMILES
C1CS(=O)(=O)C2=C1C=CC(=C2Br)N
InChI
InChI=1S/C8H8BrNO2S/c9-7-6(10)2-1-5-3-4-13(11,12)8(5)7/h1-2H,3-4,10H2
InChIKey
RGLJRDKNNQWMOX-UHFFFAOYSA-N
Compound name
7-bromo-1,1-dioxo-2,3-dihydro-1-benzothiophen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94592 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95320 137.2
[M+Na]+ 283.93514 152.0
[M-H]- 259.93864 145.0
[M+NH4]+ 278.97974 162.9
[M+K]+ 299.90908 139.8
[M+H-H2O]+ 243.94318 139.2
[M+HCOO]- 305.94412 155.1
[M+CH3COO]- 319.95977 189.6
[M+Na-2H]- 281.92059 143.5
[M]+ 260.94537 157.4
[M]- 260.94647 157.4
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.