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 153.4
[M+Na]+ 281.02187 160.7
[M-H]- 257.02537 154.6
[M+NH4]+ 276.06647 167.9
[M+K]+ 296.99581 154.5
[M+H-H2O]+ 241.02991 146.3
[M+HCOO]- 303.03085 160.0
[M+CH3COO]- 317.04650 163.4
[M+Na-2H]- 279.00732 155.8
[M]+ 258.03210 150.2
[M]- 258.03320 150.2
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