CID 4657539

4-(4-(dimethylamino)phenyl-1,3-dithiole-2-thione

Structural Information

Molecular Formula
C11H11NS3
SMILES
CN(C)C1=CC=C(C=C1)C2=CSC(=S)S2
InChI
InChI=1S/C11H11NS3/c1-12(2)9-5-3-8(4-6-9)10-7-14-11(13)15-10/h3-7H,1-2H3
InChIKey
HJJWIZYXIGOPRL-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-1,3-dithiole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.00536 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01264 151.8
[M+Na]+ 275.99458 162.2
[M-H]- 251.99808 159.8
[M+NH4]+ 271.03918 171.9
[M+K]+ 291.96852 155.7
[M+H-H2O]+ 236.00262 146.0
[M+HCOO]- 298.00356 162.5
[M+CH3COO]- 312.01921 164.5
[M+Na-2H]- 273.98003 151.0
[M]+ 253.00481 154.1
[M]- 253.00591 154.1
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.