CID 162345677

Ns00132993

Structural Information

Molecular Formula
C9H10Cl2N4
SMILES
C1CN(C(=N)N1CC2=CN=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H10Cl2N4/c10-8-2-1-7(5-13-8)6-14-3-4-15(11)9(14)12/h1-2,5,12H,3-4,6H2
InChIKey
ZQEDREAGYSYZKE-UHFFFAOYSA-N
Compound name
1-chloro-3-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02826 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.035536 152.7
[M+Na]+ 267.017478 162.3
[M-H]- 243.020984 154.4
[M+NH4]+ 262.062083 168.7
[M+K]+ 282.991418 156.2
[M+H-H2O]+ 227.025520 144.2
[M+HCOO]- 289.026461 163.6
[M+CH3COO]- 303.042111 163.8
[M+Na-2H]- 265.002926 155.2
[M]+ 244.02771142 151.7
[M]- 244.02880858 151.7
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.