CID 3034612

23749-87-3

Structural Information

Molecular Formula
C15H12Cl4N2S
SMILES
C1=CC(=C(C=C1CNC(=S)NCC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H12Cl4N2S/c16-11-3-1-9(5-13(11)18)7-20-15(22)21-8-10-2-4-12(17)14(19)6-10/h1-6H,7-8H2,(H2,20,21,22)
InChIKey
QSXLKFCJGCHVKC-UHFFFAOYSA-N
Compound name
1,3-bis[(3,4-dichlorophenyl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.94754 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.95482 192.2
[M+Na]+ 414.93676 206.7
[M+NH4]+ 409.98136 200.7
[M+K]+ 430.91070 194.4
[M-H]- 390.94026 196.8
[M+Na-2H]- 412.92221 198.9
[M]+ 391.94699 197.1
[M]- 391.94809 197.1
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.