CID 11820953

2,4-dichloro-benzoic acid (allylsulfanyl-amino-methylene)-hydrazide

Structural Information

Molecular Formula
C11H11Cl2N3OS
SMILES
C=CCS/C(=N/NC(=O)C1=C(C=C(C=C1)Cl)Cl)/N
InChI
InChI=1S/C11H11Cl2N3OS/c1-2-5-18-11(14)16-15-10(17)8-4-3-7(12)6-9(8)13/h2-4,6H,1,5H2,(H2,14,16)(H,15,17)
InChIKey
ZPPWJSJXQGKQMP-UHFFFAOYSA-N
Compound name
prop-2-enyl N'-[(2,4-dichlorobenzoyl)amino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.0 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.00728 166.1
[M+Na]+ 325.98922 173.5
[M-H]- 301.99272 170.1
[M+NH4]+ 321.03382 182.6
[M+K]+ 341.96316 166.9
[M+H-H2O]+ 285.99726 161.1
[M+HCOO]- 347.99820 177.5
[M+CH3COO]- 362.01385 207.4
[M+Na-2H]- 323.97467 165.7
[M]+ 302.99945 169.0
[M]- 303.00055 169.0
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

No patent data available for this compound.