CID 3472265

4-(4-acetamidophenyl)-1,3-dithiole-2-thione

Structural Information

Molecular Formula
C11H9NOS3
SMILES
CC(=O)NC1=CC=C(C=C1)C2=CSC(=S)S2
InChI
InChI=1S/C11H9NOS3/c1-7(13)12-9-4-2-8(3-5-9)10-6-15-11(14)16-10/h2-6H,1H3,(H,12,13)
InChIKey
IAZQLSJMIXBZLN-UHFFFAOYSA-N
Compound name
N-[4-(2-sulfanylidene-1,3-dithiol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98462 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99190 155.7
[M+Na]+ 289.97384 165.7
[M-H]- 265.97734 162.2
[M+NH4]+ 285.01844 174.4
[M+K]+ 305.94778 158.1
[M+H-H2O]+ 249.98188 150.1
[M+HCOO]- 311.98282 165.4
[M+CH3COO]- 325.99847 167.5
[M+Na-2H]- 287.95929 154.9
[M]+ 266.98407 156.8
[M]- 266.98517 156.8
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

No patent data available for this compound.