CID 62351222

3-(4-bromophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CNC(=O)C(N1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
CQRGSJDXPCSHAJ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.00548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01276 148.4
[M+Na]+ 276.99470 157.8
[M-H]- 252.99820 152.0
[M+NH4]+ 272.03930 165.0
[M+K]+ 292.96864 145.0
[M+H-H2O]+ 237.00274 147.4
[M+HCOO]- 299.00368 162.6
[M+CH3COO]- 313.01933 160.7
[M+Na-2H]- 274.98015 154.3
[M]+ 254.00493 159.9
[M]- 254.00603 159.9
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