CID 32004

N-(p-chlorophenyl)isonicotinamidine

Structural Information

Molecular Formula
C12H10ClN3
SMILES
C1=CC(=CC=C1N=C(C2=CC=NC=C2)N)Cl
InChI
InChI=1S/C12H10ClN3/c13-10-1-3-11(4-2-10)16-12(14)9-5-7-15-8-6-9/h1-8H,(H2,14,16)
InChIKey
CNBCJBZXCQVCGW-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063596 149.6
[M+Na]+ 254.045538 157.7
[M-H]- 230.049044 155.7
[M+NH4]+ 249.090143 166.6
[M+K]+ 270.019478 152.4
[M+H-H2O]+ 214.053580 141.7
[M+HCOO]- 276.054521 170.9
[M+CH3COO]- 290.070171 194.5
[M+Na-2H]- 252.030986 156.6
[M]+ 231.05577142 149.1
[M]- 231.05686858 149.1
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.