CID 17855001

1-(2,6-dichlorobenzoyl)piperazine

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1CN(CCN1)C(=O)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c12-8-2-1-3-9(13)10(8)11(16)15-6-4-14-5-7-15/h1-3,14H,4-7H2
InChIKey
QLYMWDPEXIEMSX-UHFFFAOYSA-N
Compound name
(2,6-dichlorophenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.03265 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03993 153.8
[M+Na]+ 281.02187 167.9
[M+NH4]+ 276.06647 162.1
[M+K]+ 296.99581 160.3
[M-H]- 257.02537 156.2
[M+Na-2H]- 279.00732 160.7
[M]+ 258.03210 156.9
[M]- 258.03320 156.9
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