CID 50999171

1-(4-bromophenyl)piperazin-2-one hydrochloride

Structural Information

Molecular Formula
C10H11BrN2O
SMILES
C1CN(C(=O)CN1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrN2O/c11-8-1-3-9(4-2-8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
InChIKey
WORBLAPBQYNWAU-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 147.5
[M+Na]+ 276.99470 157.4
[M-H]- 252.99820 152.4
[M+NH4]+ 272.03930 164.8
[M+K]+ 292.96864 145.4
[M+H-H2O]+ 237.00274 146.3
[M+HCOO]- 299.00368 163.1
[M+CH3COO]- 313.01933 160.5
[M+Na-2H]- 274.98015 153.9
[M]+ 254.00493 160.7
[M]- 254.00603 160.7
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