CID 137985

Dithieno[3,2-b:2',3'-d]thiophene

Structural Information

Molecular Formula
C8H4S3
SMILES
C1=CSC2=C1SC3=C2SC=C3
InChI
InChI=1S/C8H4S3/c1-3-9-7-5(1)11-6-2-4-10-8(6)7/h1-4H
InChIKey
VGWBXRXNERKBSJ-UHFFFAOYSA-N
Compound name
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

824
Patents

195.94751 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95479 139.1
[M+Na]+ 218.93673 155.8
[M-H]- 194.94023 147.1
[M+NH4]+ 213.98133 167.8
[M+K]+ 234.91067 151.7
[M+H-H2O]+ 178.94477 138.3
[M+HCOO]- 240.94571 153.4
[M+CH3COO]- 254.96136 155.4
[M+Na-2H]- 216.92218 140.9
[M]+ 195.94696 147.1
[M]- 195.94806 147.1
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