CID 3038023

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

Structural Information

Molecular Formula
C14H11ClN2S2
SMILES
C1=CC=C(C=C1)NC(=S)C(=S)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClN2S2/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
NGJXLXXLMDAVPS-UHFFFAOYSA-N
Compound name
N'-(4-chlorophenyl)-N-phenylethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00522 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01250 163.6
[M+Na]+ 328.99444 170.6
[M-H]- 304.99794 169.8
[M+NH4]+ 324.03904 179.3
[M+K]+ 344.96838 162.2
[M+H-H2O]+ 289.00248 157.4
[M+HCOO]- 351.00342 172.8
[M+CH3COO]- 365.01907 174.0
[M+Na-2H]- 326.97989 164.9
[M]+ 306.00467 164.0
[M]- 306.00577 164.0
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.