CID 3032590

P-chlorobenzyl m-chlorodithiocarbanilate

Structural Information

Molecular Formula
C14H11Cl2NS2
SMILES
C1=CC(=CC(=C1)Cl)NC(=S)SCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11Cl2NS2/c15-11-6-4-10(5-7-11)9-19-14(18)17-13-3-1-2-12(16)8-13/h1-8H,9H2,(H,17,18)
InChIKey
SCWRLORCTXSBAL-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.971 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.97828 164.5
[M+Na]+ 349.96022 173.4
[M-H]- 325.96372 170.7
[M+NH4]+ 345.00482 180.6
[M+K]+ 365.93416 164.5
[M+H-H2O]+ 309.96826 159.7
[M+HCOO]- 371.96920 168.9
[M+CH3COO]- 385.98485 175.3
[M+Na-2H]- 347.94567 164.8
[M]+ 326.97045 168.3
[M]- 326.97155 168.3
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.