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

2
Patents

241.0618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.069076 150.7
[M+Na]+ 264.051018 156.2
[M-H]- 240.054524 152.5
[M+NH4]+ 259.095623 164.4
[M+K]+ 280.024958 147.5
[M+H-H2O]+ 224.059060 147.6
[M+HCOO]- 286.060001 164.4
[M+CH3COO]- 300.075651 181.2
[M+Na-2H]- 262.036466 156.8
[M]+ 241.06125142 144.8
[M]- 241.06234858 144.8
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.