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

1017
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 148.1
[M+Na]+ 262.99596 163.5
[M-H]- 238.99946 156.6
[M+NH4]+ 258.04056 174.5
[M+K]+ 278.96990 157.6
[M+H-H2O]+ 223.00400 145.4
[M+HCOO]- 285.00494 165.3
[M+CH3COO]- 299.02059 163.7
[M+Na-2H]- 260.98141 153.3
[M]+ 240.00619 156.2
[M]- 240.00729 156.2
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