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 150.7
[M+Na]+ 264.05102 156.2
[M-H]- 240.05452 152.5
[M+NH4]+ 259.09562 164.4
[M+K]+ 280.02496 147.5
[M+H-H2O]+ 224.05906 147.6
[M+HCOO]- 286.06000 164.4
[M+CH3COO]- 300.07565 181.2
[M+Na-2H]- 262.03647 156.8
[M]+ 241.06125 144.8
[M]- 241.06235 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.