CID 5027083

1-[(2,3-dichlorophenyl)methyl]piperazine

Structural Information

Molecular Formula
C11H14Cl2N2
SMILES
C1CN(CCN1)CC2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2/c12-10-3-1-2-9(11(10)13)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
InChIKey
LFMDJDXSAUVJHV-UHFFFAOYSA-N
Compound name
1-[(2,3-dichlorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

244.0534 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06068 152.0
[M+Na]+ 267.04262 159.2
[M-H]- 243.04612 152.8
[M+NH4]+ 262.08722 167.1
[M+K]+ 283.01656 152.5
[M+H-H2O]+ 227.05066 144.6
[M+HCOO]- 289.05160 159.0
[M+CH3COO]- 303.06725 162.1
[M+Na-2H]- 265.02807 155.4
[M]+ 244.05285 148.6
[M]- 244.05395 148.6
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

patents stripe