CID 9626356

2,3-dichlorobenzaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C14H10Cl3N3S
SMILES
C1=CC(=CC(=C1)Cl)NC(=S)N/N=C/C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C14H10Cl3N3S/c15-10-4-2-5-11(7-10)19-14(21)20-18-8-9-3-1-6-12(16)13(9)17/h1-8H,(H2,19,20,21)/b18-8+
InChIKey
CQTTVAZWSQQNBZ-QGMBQPNBSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-(2,3-dichlorophenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.9661 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.97338 181.3
[M+Na]+ 379.95532 195.4
[M+NH4]+ 374.99992 190.1
[M+K]+ 395.92926 183.5
[M-H]- 355.95882 187.1
[M+Na-2H]- 377.94077 189.6
[M]+ 356.96555 186.2
[M]- 356.96665 186.2
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.