CID 9568188

Benzoic acid, o-mercapto-,2,4-dichlorobenzylidenehydrazide

Structural Information

Molecular Formula
C14H10Cl2N2OS
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl)S
InChI
InChI=1S/C14H10Cl2N2OS/c15-10-6-5-9(12(16)7-10)8-17-18-14(19)11-3-1-2-4-13(11)20/h1-8,20H,(H,18,19)/b17-8+
InChIKey
KLEVFCOAGRHQTN-CAOOACKPSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.98907 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99635 169.2
[M+Na]+ 346.97829 178.8
[M-H]- 322.98179 177.2
[M+NH4]+ 342.02289 185.7
[M+K]+ 362.95223 171.7
[M+H-H2O]+ 306.98633 163.4
[M+HCOO]- 368.98727 181.8
[M+CH3COO]- 383.00292 209.3
[M+Na-2H]- 344.96374 171.2
[M]+ 323.98852 174.7
[M]- 323.98962 174.7
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.