CID 7575242

3-chlorobenzaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C14H12ClN3S
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H12ClN3S/c15-12-6-4-5-11(9-12)10-16-18-14(19)17-13-7-2-1-3-8-13/h1-10H,(H2,17,18,19)/b16-10+
InChIKey
RJZBNHSZKMBFMF-MHWRWJLKSA-N
Compound name
1-[(E)-(3-chlorophenyl)methylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.04404 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05132 164.3
[M+Na]+ 312.03326 177.2
[M+NH4]+ 307.07786 173.6
[M+K]+ 328.00720 166.3
[M-H]- 288.03676 171.0
[M+Na-2H]- 310.01871 174.1
[M]+ 289.04349 168.7
[M]- 289.04459 168.7
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.