CID 2799984

1-(3,5-dichloropyridin-4-yl)piperazine

Structural Information

Molecular Formula
C9H11Cl2N3
SMILES
C1CN(CCN1)C2=C(C=NC=C2Cl)Cl
InChI
InChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKey
GPCFTLKHUONISF-UHFFFAOYSA-N
Compound name
1-(3,5-dichloropyridin-4-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

231.033 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04028 147.3
[M+Na]+ 254.02222 155.3
[M-H]- 230.02572 146.9
[M+NH4]+ 249.06682 161.4
[M+K]+ 269.99616 149.0
[M+H-H2O]+ 214.03026 139.0
[M+HCOO]- 276.03120 153.4
[M+CH3COO]- 290.04685 157.4
[M+Na-2H]- 252.00767 151.7
[M]+ 231.03245 143.5
[M]- 231.03355 143.5
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