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 198.2
[M+Na]+ 482.85882 203.1
[M-H]- 458.86232 197.5
[M+NH4]+ 477.90342 206.7
[M+K]+ 498.83276 197.6
[M+H-H2O]+ 442.86686 194.5
[M+HCOO]- 504.86780 184.7
[M+CH3COO]- 518.88345 226.4
[M+Na-2H]- 480.84427 195.2
[M]+ 459.86905 195.5
[M]- 459.87015 195.5
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