CID 136056

248-70-4

Structural Information

Molecular Formula
C14H8S2
SMILES
C1=CC=C2C(=C1)C3=C(S2)C4=CC=CC=C4S3
InChI
InChI=1S/C14H8S2/c1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13/h1-8H
InChIKey
NXCSDJOTXUWERI-UHFFFAOYSA-N
Compound name
[1]benzothiolo[3,2-b][1]benzothiole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

523
Patents

240.00674 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01402 144.5
[M+Na]+ 262.99596 160.8
[M+NH4]+ 258.04056 157.8
[M+K]+ 278.96990 150.7
[M-H]- 238.99946 150.4
[M+Na-2H]- 260.98141 152.4
[M]+ 240.00619 149.9
[M]- 240.00729 149.9
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