CID 2735779

1-(4-chloro-2-nitrophenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H12ClN3O2/c11-8-1-2-9(10(7-8)14(15)16)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2
InChIKey
NZFQOXSALNTRDH-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-nitrophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

241.0618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 148.4
[M+Na]+ 264.05102 162.4
[M+NH4]+ 259.09562 156.5
[M+K]+ 280.02496 158.1
[M-H]- 240.05452 152.3
[M+Na-2H]- 262.03647 155.4
[M]+ 241.06125 151.5
[M]- 241.06235 151.5
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

No patent data available for this compound.