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

1
Patents

227.00171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.008986 152.0
[M+Na]+ 249.990928 163.2
[M-H]- 225.994434 155.4
[M+NH4]+ 245.035533 169.4
[M+K]+ 265.964868 157.2
[M+H-H2O]+ 209.998970 141.1
[M+HCOO]- 271.999911 165.8
[M+CH3COO]- 286.015561 205.0
[M+Na-2H]- 247.976376 155.2
[M]+ 227.00116142 148.4
[M]- 227.00225858 148.4
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

patents stripe