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 177.5
[M+Na]+ 379.95532 186.1
[M-H]- 355.95882 183.9
[M+NH4]+ 374.99992 192.3
[M+K]+ 395.92926 177.9
[M+H-H2O]+ 339.96336 172.3
[M+HCOO]- 401.96430 185.3
[M+CH3COO]- 415.97995 216.1
[M+Na-2H]- 377.94077 178.6
[M]+ 356.96555 181.1
[M]- 356.96665 181.1
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.