CID 9637240

4-chlorobenzaldehyde n-(3-chlorophenyl)thiosemicarbazone

Structural Information

Molecular Formula
C14H11Cl2N3S
SMILES
C1=CC(=CC(=C1)Cl)NC(=S)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11Cl2N3S/c15-11-6-4-10(5-7-11)9-17-19-14(20)18-13-3-1-2-12(16)8-13/h1-9H,(H2,18,19,20)/b17-9+
InChIKey
DBQYHTAAAPOVTN-RQZCQDPDSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-(4-chlorophenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.00507 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.01235 172.3
[M+Na]+ 345.99429 186.0
[M+NH4]+ 341.03889 181.5
[M+K]+ 361.96823 174.5
[M-H]- 321.99779 178.7
[M+Na-2H]- 343.97974 181.5
[M]+ 323.00452 177.1
[M]- 323.00562 177.1
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.