CID 718337

1,3-bis(2-chlorophenyl)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

39
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 164.4
[M+Na]+ 318.98339 179.2
[M+NH4]+ 314.02799 174.3
[M+K]+ 334.95733 167.9
[M-H]- 294.98689 170.5
[M+Na-2H]- 316.96884 173.8
[M]+ 295.99362 169.4
[M]- 295.99472 169.4
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