CID 3032736

Carbanilic acid, 4-bromo-3-chlorodithio-, p-chlorobenzyl ester

Structural Information

Molecular Formula
C14H10BrCl2NS2
SMILES
C1=CC(=CC=C1CSC(=S)NC2=CC(=C(C=C2)Br)Cl)Cl
InChI
InChI=1S/C14H10BrCl2NS2/c15-12-6-5-11(7-13(12)17)18-14(19)20-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,18,19)
InChIKey
YOQGKJAKQVYCLV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.8815 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.88878 157.7
[M+Na]+ 427.87072 171.2
[M-H]- 403.87422 166.8
[M+NH4]+ 422.91532 175.2
[M+K]+ 443.84466 154.0
[M+H-H2O]+ 387.87876 159.4
[M+HCOO]- 449.87970 161.0
[M+CH3COO]- 463.89535 171.1
[M+Na-2H]- 425.85617 160.6
[M]+ 404.88095 180.0
[M]- 404.88205 180.0
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.