CID 3022140

Thiourea, n,n'-bis(3-(trichloromethyl)phenyl)-

Structural Information

Molecular Formula
C15H10Cl6N2S
SMILES
C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C15H10Cl6N2S/c16-14(17,18)9-3-1-5-11(7-9)22-13(24)23-12-6-2-4-10(8-12)15(19,20)21/h1-8H,(H2,22,23,24)
InChIKey
XBMWAHXMJFTRMK-UHFFFAOYSA-N
Compound name
1,3-bis[3-(trichloromethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

459.8696 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.87688 221.2
[M+Na]+ 482.85882 232.5
[M+NH4]+ 477.90342 227.3
[M+K]+ 498.83276 221.1
[M-H]- 458.86232 222.5
[M+Na-2H]- 480.84427 224.6
[M]+ 459.86905 224.9
[M]- 459.87015 224.9
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

patents stripe