CID 9560222

94023-67-3

Structural Information

Molecular Formula
C8H8Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C=N/N=C(N)N
InChI
InChI=1S/C8H8Cl2N4/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
InChIKey
WLTSTDGGFCQWTK-YIXHJXPBSA-N
Compound name
2-[(E)-(2,3-dichlorophenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

44
Patents

230.0126 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.019876 150.8
[M+Na]+ 253.001818 159.5
[M-H]- 229.005324 155.7
[M+NH4]+ 248.046423 169.9
[M+K]+ 268.975758 154.5
[M+H-H2O]+ 213.009860 145.6
[M+HCOO]- 275.010801 171.0
[M+CH3COO]- 289.026451 200.3
[M+Na-2H]- 250.987266 154.9
[M]+ 230.01205142 150.8
[M]- 230.01314858 150.8
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