CID 3033254

Usaf mk-62

Structural Information

Molecular Formula
C16H14Cl2N2S2
SMILES
C1=CC(=CC=C1CNC(=S)C(=S)NCC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2S2/c17-13-5-1-11(2-6-13)9-19-15(21)16(22)20-10-12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
AIUCBVRCPRHCDO-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-chlorophenyl)methyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 176.7
[M+Na]+ 390.98678 183.7
[M-H]- 366.99028 182.4
[M+NH4]+ 386.03138 190.7
[M+K]+ 406.96072 174.1
[M+H-H2O]+ 350.99482 171.4
[M+HCOO]- 412.99576 180.4
[M+CH3COO]- 427.01141 213.8
[M+Na-2H]- 388.97223 175.9
[M]+ 367.99701 179.3
[M]- 367.99811 179.3
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