CID 3033253

Usaf mk-63

Structural Information

Molecular Formula
C16H14Cl2N2S2
SMILES
C1=CC=C(C(=C1)CNC(=S)C(=S)NCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C16H14Cl2N2S2/c17-13-7-3-1-5-11(13)9-19-15(21)16(22)20-10-12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
GQOCVALHPKXOCZ-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

367.99756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00484 181.9
[M+Na]+ 390.98678 194.7
[M+NH4]+ 386.03138 190.9
[M+K]+ 406.96072 181.9
[M-H]- 366.99028 187.4
[M+Na-2H]- 388.97223 189.3
[M]+ 367.99701 186.8
[M]- 367.99811 186.8
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

patents stripe