CID 3032436

P-chlorobenzyl p-bromodithiocarbanilate

Structural Information

Molecular Formula
C14H11BrClNS2
SMILES
C1=CC(=CC=C1CSC(=S)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C14H11BrClNS2/c15-11-3-7-13(8-4-11)17-14(18)19-9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
InChIKey
CGQIWHPAKMCHJY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(4-bromophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.92047 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.92775 154.0
[M+Na]+ 393.90969 166.5
[M-H]- 369.91319 163.2
[M+NH4]+ 388.95429 172.1
[M+K]+ 409.88363 150.0
[M+H-H2O]+ 353.91773 154.6
[M+HCOO]- 415.91867 161.9
[M+CH3COO]- 429.93432 167.7
[M+Na-2H]- 391.89514 157.9
[M]+ 370.91992 175.2
[M]- 370.92102 175.2
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.