CID 211744

Nicotinamidine, n-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C12H9Cl2N3
SMILES
C1=CC(=CN=C1)C(=NC2=CC(=C(C=C2)Cl)Cl)N
InChI
InChI=1S/C12H9Cl2N3/c13-10-4-3-9(6-11(10)14)17-12(15)8-2-1-5-16-7-8/h1-7H,(H2,15,17)
InChIKey
HAICLKDNRBIGHK-UHFFFAOYSA-N
Compound name
N'-(3,4-dichlorophenyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.01736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.02464 156.5
[M+Na]+ 288.00658 165.8
[M-H]- 264.01008 162.0
[M+NH4]+ 283.05118 172.8
[M+K]+ 303.98052 159.3
[M+H-H2O]+ 248.01462 149.3
[M+HCOO]- 310.01556 172.5
[M+CH3COO]- 324.03121 168.5
[M+Na-2H]- 285.99203 161.8
[M]+ 265.01681 157.7
[M]- 265.01791 157.7
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.