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 152.0
[M+Na]+ 249.99093 163.2
[M-H]- 225.99443 155.4
[M+NH4]+ 245.03553 169.4
[M+K]+ 265.96487 157.2
[M+H-H2O]+ 209.99897 141.1
[M+HCOO]- 271.99991 165.8
[M+CH3COO]- 286.01556 205.0
[M+Na-2H]- 247.97638 155.2
[M]+ 227.00116 148.4
[M]- 227.00226 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