CID 16244321

1187927-75-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

212.97893 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 139.7
[M+Na]+ 235.96815 151.9
[M-H]- 211.97165 147.3
[M+NH4]+ 231.01275 163.2
[M+K]+ 251.94209 141.9
[M+H-H2O]+ 195.97619 140.3
[M+HCOO]- 257.97713 160.9
[M+CH3COO]- 271.99278 155.6
[M+Na-2H]- 233.95360 147.4
[M]+ 212.97838 157.0
[M]- 212.97948 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