CID 165605069

1-(2,3-dichlorophenyl)-4-nitrosopiperazine

Structural Information

Molecular Formula
C10H11Cl2N3O
SMILES
C1CN(CCN1C2=C(C(=CC=C2)Cl)Cl)N=O
InChI
InChI=1S/C10H11Cl2N3O/c11-8-2-1-3-9(10(8)12)14-4-6-15(13-16)7-5-14/h1-3H,4-7H2
InChIKey
IBXYJRGCUQRECX-UHFFFAOYSA-N
Compound name
1-(2,3-dichlorophenyl)-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.02792 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.03520 153.9
[M+Na]+ 282.01714 162.7
[M-H]- 258.02064 158.0
[M+NH4]+ 277.06174 169.6
[M+K]+ 297.99108 157.8
[M+H-H2O]+ 242.02518 145.9
[M+HCOO]- 304.02612 165.5
[M+CH3COO]- 318.04177 196.7
[M+Na-2H]- 280.00259 158.3
[M]+ 259.02737 154.3
[M]- 259.02847 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.