CID 614844

N'-cyano-2-(3,4-dichlorophenyl)ethanimidamide

Structural Information

Molecular Formula
C9H7Cl2N3
SMILES
C1=CC(=C(C=C1CC(=NC#N)N)Cl)Cl
InChI
InChI=1S/C9H7Cl2N3/c10-7-2-1-6(3-8(7)11)4-9(13)14-5-12/h1-3H,4H2,(H2,13,14)
InChIKey
FPJZOLMBOBRFFS-UHFFFAOYSA-N
Compound name
N'-cyano-2-(3,4-dichlorophenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00899 146.2
[M+Na]+ 249.99093 158.5
[M+NH4]+ 245.03553 151.5
[M+K]+ 265.96487 148.4
[M-H]- 225.99443 142.3
[M+Na-2H]- 247.97638 150.6
[M]+ 227.00116 146.5
[M]- 227.00226 146.5
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.