CID 3034491

Thioimidodicarbonic diamide, n,n'-bis(4-chlorophenyl)-

Structural Information

Molecular Formula
C14H11Cl2N3S2
SMILES
C1=CC(=CC=C1NC(=S)NC(=S)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3S2/c15-9-1-5-11(6-2-9)17-13(20)19-14(21)18-12-7-3-10(16)4-8-12/h1-8H,(H3,17,18,19,20,21)
InChIKey
CKTHLPNLYJYYOW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamothioyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.97714 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.98442 177.0
[M+Na]+ 377.96636 188.9
[M+NH4]+ 373.01096 185.8
[M+K]+ 393.94030 177.1
[M-H]- 353.96986 182.7
[M+Na-2H]- 375.95181 184.7
[M]+ 354.97659 181.7
[M]- 354.97769 181.7
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.