CID 9561611

Sephin1

Structural Information

Molecular Formula
C8H9ClN4
SMILES
C1=CC=C(C(=C1)/C=N/N=C(N)N)Cl
InChI
InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
InChIKey
PDWJALXSRRSUHR-LFYBBSHMSA-N
Compound name
2-[(E)-(2-chlorophenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

176
Patents

196.05157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05885 140.6
[M+Na]+ 219.04079 151.0
[M+NH4]+ 214.08539 148.8
[M+K]+ 235.01473 144.6
[M-H]- 195.04429 144.9
[M+Na-2H]- 217.02624 147.7
[M]+ 196.05102 143.2
[M]- 196.05212 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe