CID 11821035

1-[(e)-(2,4-dichlorophenyl)methyleneamino]-2-methyl-isothiourea

Structural Information

Molecular Formula
C9H9Cl2N3S
SMILES
CS/C(=N\N=C\C1=C(C=C(C=C1)Cl)Cl)/N
InChI
InChI=1S/C9H9Cl2N3S/c1-15-9(12)14-13-5-6-2-3-7(10)4-8(6)11/h2-5H,1H3,(H2,12,14)/b13-5+
InChIKey
SDJMGUHZMPUBLX-WLRTZDKTSA-N
Compound name
methyl N'-[(E)-(2,4-dichlorophenyl)methylideneamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9894 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99668 155.5
[M+Na]+ 283.97862 164.4
[M-H]- 259.98212 161.1
[M+NH4]+ 279.02322 174.6
[M+K]+ 299.95256 158.6
[M+H-H2O]+ 243.98666 150.5
[M+HCOO]- 305.98760 169.5
[M+CH3COO]- 320.00325 201.8
[M+Na-2H]- 281.96407 157.3
[M]+ 260.98885 159.3
[M]- 260.98995 159.3
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.