CID 2798589

1,3-bis(4-chlorophenyl)thiourea

Structural Information

Molecular Formula
C13H10Cl2N2S
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H10Cl2N2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
SYJZYFOTCABQES-UHFFFAOYSA-N
Compound name
1,3-bis(4-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

295.99417 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.001446 161.5
[M+Na]+ 318.983388 170.1
[M-H]- 294.986894 167.8
[M+NH4]+ 314.027993 178.2
[M+K]+ 334.957328 162.3
[M+H-H2O]+ 278.991430 156.2
[M+HCOO]- 340.992371 172.6
[M+CH3COO]- 355.008021 172.9
[M+Na-2H]- 316.968836 164.2
[M]+ 295.99362142 163.8
[M]- 295.99471858 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

literature stripe

Patent stripe

patents stripe