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 172.7
[M+Na]+ 377.96636 179.7
[M-H]- 353.96986 178.4
[M+NH4]+ 373.01096 186.8
[M+K]+ 393.94030 170.4
[M+H-H2O]+ 337.97440 167.5
[M+HCOO]- 399.97534 177.9
[M+CH3COO]- 413.99099 182.0
[M+Na-2H]- 375.95181 173.5
[M]+ 354.97659 173.9
[M]- 354.97769 173.9
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.