CID 3032665

17710-62-2

Structural Information

Molecular Formula
C13H9Cl2NOS
SMILES
C1=CC(=CC=C1NC(=S)OC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NOS/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H,16,18)
InChIKey
TTZHARBPVDBEQM-UHFFFAOYSA-N
Compound name
O-(4-chlorophenyl) N-(4-chlorophenyl)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.97818 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.98546 160.0
[M+Na]+ 319.96740 169.4
[M-H]- 295.97090 166.6
[M+NH4]+ 315.01200 177.1
[M+K]+ 335.94134 162.3
[M+H-H2O]+ 279.97544 154.9
[M+HCOO]- 341.97638 170.4
[M+CH3COO]- 355.99203 171.9
[M+Na-2H]- 317.95285 162.4
[M]+ 296.97763 164.3
[M]- 296.97873 164.3
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.