CID 83918191

5-bromo-1-benzothiophen-7-amine

Structural Information

Molecular Formula
C8H6BrNS
SMILES
C1=CSC2=C(C=C(C=C21)Br)N
InChI
InChI=1S/C8H6BrNS/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4H,10H2
InChIKey
UZQFCTQFVKENDA-UHFFFAOYSA-N
Compound name
5-bromo-1-benzothiophen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.94043 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.947706 132.0
[M+Na]+ 249.929648 147.2
[M-H]- 225.933154 140.2
[M+NH4]+ 244.974253 157.4
[M+K]+ 265.903588 134.8
[M+H-H2O]+ 209.937690 133.2
[M+HCOO]- 271.938631 152.0
[M+CH3COO]- 285.954281 149.1
[M+Na-2H]- 247.915096 138.9
[M]+ 226.93988142 152.7
[M]- 226.94097858 152.7
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.