CID 718337

1,3-bis(2-chlorophenyl)-2-thiourea

Structural Information

Molecular Formula
C13H10Cl2N2S
SMILES
C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C13H10Cl2N2S/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8H,(H2,16,17,18)
InChIKey
RJTJZLBYKUDXRD-UHFFFAOYSA-N
Compound name
1,3-bis(2-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

295.99417 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00145 161.5
[M+Na]+ 318.98339 170.1
[M-H]- 294.98689 167.8
[M+NH4]+ 314.02799 178.2
[M+K]+ 334.95733 162.3
[M+H-H2O]+ 278.99143 156.2
[M+HCOO]- 340.99237 172.6
[M+CH3COO]- 355.00802 172.9
[M+Na-2H]- 316.96884 164.2
[M]+ 295.99362 163.8
[M]- 295.99472 163.8
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.