CID 610848

4-phenyl-1,3-dithiole-2-thione

Structural Information

Molecular Formula
C9H6S3
SMILES
C1=CC=C(C=C1)C2=CSC(=S)S2
InChI
InChI=1S/C9H6S3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
ZLHIKMZHVHFMJK-UHFFFAOYSA-N
Compound name
4-phenyl-1,3-dithiole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.96317 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97045 139.6
[M+Na]+ 232.95239 151.3
[M-H]- 208.95589 146.7
[M+NH4]+ 227.99699 161.1
[M+K]+ 248.92633 144.4
[M+H-H2O]+ 192.96043 134.9
[M+HCOO]- 254.96137 150.1
[M+CH3COO]- 268.97702 153.2
[M+Na-2H]- 230.93784 140.0
[M]+ 209.96262 140.6
[M]- 209.96372 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe