CID 11095132

2,3-dihydrothieno[3,4-b][1,4]dithiine

Structural Information

Molecular Formula
C6H6S3
SMILES
C1CSC2=CSC=C2S1
InChI
InChI=1S/C6H6S3/c1-2-9-6-4-7-3-5(6)8-1/h3-4H,1-2H2
InChIKey
HPGNGICCHXRMIP-UHFFFAOYSA-N
Compound name
2,3-dihydrothieno[3,4-b][1,4]dithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

173.96317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.97045 126.1
[M+Na]+ 196.95239 136.5
[M+NH4]+ 191.99699 138.0
[M+K]+ 212.92633 126.2
[M-H]- 172.95589 129.9
[M+Na-2H]- 194.93784 130.4
[M]+ 173.96262 130.1
[M]- 173.96372 130.1
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