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]+ 350.961976 152.7
[M+Na]+ 372.943918 162.6
[M-H]- 348.947424 161.1
[M+NH4]+ 367.988523 169.7
[M+K]+ 388.917858 146.9
[M+H-H2O]+ 332.951960 151.4
[M+HCOO]- 394.952901 164.6
[M+CH3COO]- 408.968551 165.4
[M+Na-2H]- 370.929366 157.1
[M]+ 349.95415142 169.5
[M]- 349.95524858 169.5
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.