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 152.7
[M+Na]+ 372.94392 162.6
[M-H]- 348.94742 161.1
[M+NH4]+ 367.98852 169.7
[M+K]+ 388.91786 146.9
[M+H-H2O]+ 332.95196 151.4
[M+HCOO]- 394.95290 164.6
[M+CH3COO]- 408.96855 165.4
[M+Na-2H]- 370.92937 157.1
[M]+ 349.95415 169.5
[M]- 349.95525 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.