CID 16228145

446290-81-9

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
C1CN(CCN1)C(=O)C2=CC=C(O2)Br
InChI
InChI=1S/C9H11BrN2O2/c10-8-2-1-7(14-8)9(13)12-5-3-11-4-6-12/h1-2,11H,3-6H2
InChIKey
UADOQGQGJDYASH-UHFFFAOYSA-N
Compound name
(5-bromofuran-2-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

258.0004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.007676 150.7
[M+Na]+ 280.989618 160.0
[M-H]- 256.993124 156.1
[M+NH4]+ 276.034223 168.1
[M+K]+ 296.963558 150.4
[M+H-H2O]+ 240.997660 149.7
[M+HCOO]- 302.998601 165.8
[M+CH3COO]- 317.014251 185.6
[M+Na-2H]- 278.975066 155.0
[M]+ 257.99985142 165.1
[M]- 258.00094858 165.1
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