CID 4101484

54042-47-6

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c12-10-3-1-9(2-4-10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2
InChIKey
IHSZLKAMJQHQOS-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

224.07164 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 148.7
[M+Na]+ 247.06086 161.9
[M+NH4]+ 242.10546 156.9
[M+K]+ 263.03480 154.8
[M-H]- 223.06436 151.2
[M+Na-2H]- 245.04631 155.9
[M]+ 224.07109 151.4
[M]- 224.07219 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe