CID 3055477

Spiro(benzofuran-2(3h),1'-cyclopropan)-3-one, 5-amino-4-bromo-

Structural Information

Molecular Formula
C10H8BrNO2
SMILES
C1CC12C(=O)C3=C(O2)C=CC(=C3Br)N
InChI
InChI=1S/C10H8BrNO2/c11-8-5(12)1-2-6-7(8)9(13)10(14-6)3-4-10/h1-2H,3-4,12H2
InChIKey
PFKORNCWDCAEQJ-UHFFFAOYSA-N
Compound name
5-amino-4-bromospiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.97385 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.98113 147.5
[M+Na]+ 275.96307 163.0
[M-H]- 251.96657 158.3
[M+NH4]+ 271.00767 167.2
[M+K]+ 291.93701 152.2
[M+H-H2O]+ 235.97111 148.6
[M+HCOO]- 297.97205 167.9
[M+CH3COO]- 311.98770 163.3
[M+Na-2H]- 273.94852 155.5
[M]+ 252.97330 168.2
[M]- 252.97440 168.2
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