CID 2771331

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

93
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

patents stripe