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]+ 232.06360 149.6
[M+Na]+ 254.04554 157.7
[M-H]- 230.04904 155.7
[M+NH4]+ 249.09014 166.6
[M+K]+ 270.01948 152.4
[M+H-H2O]+ 214.05358 141.7
[M+HCOO]- 276.05452 170.9
[M+CH3COO]- 290.07017 194.5
[M+Na-2H]- 252.03099 156.6
[M]+ 231.05577 149.1
[M]- 231.05687 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.