CID 3038024

Oxamide, n-(p-bromophenyl)-n'-phenyldithio-

Structural Information

Molecular Formula
C14H11BrN2S2
SMILES
C1=CC=C(C=C1)NC(=S)C(=S)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H11BrN2S2/c15-10-6-8-12(9-7-10)17-14(19)13(18)16-11-4-2-1-3-5-11/h1-9H,(H,16,18)(H,17,19)
InChIKey
MACCMQGXOGWFOD-UHFFFAOYSA-N
Compound name
N'-(4-bromophenyl)-N-phenylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.9547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.96198 141.6
[M+Na]+ 372.94392 144.4
[M+NH4]+ 367.98852 147.3
[M+K]+ 388.91786 141.5
[M-H]- 348.94742 145.5
[M+Na-2H]- 370.92937 148.3
[M]+ 349.95415 142.7
[M]- 349.95525 142.7
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.