CID 44630690

6-bromo-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1C(C2=C(O1)C=C(C=C2)Br)N
InChI
InChI=1S/C8H8BrNO/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,7H,4,10H2
InChIKey
VXHJNJHULJJTSD-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

212.97893 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 139.7
[M+Na]+ 235.968148 151.9
[M-H]- 211.971654 147.3
[M+NH4]+ 231.012753 163.2
[M+K]+ 251.942088 141.9
[M+H-H2O]+ 195.976190 140.3
[M+HCOO]- 257.977131 160.9
[M+CH3COO]- 271.992781 155.6
[M+Na-2H]- 233.953596 147.4
[M]+ 212.97838142 157.0
[M]- 212.97947858 157.0
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