CID 15306149

Anthra[2,3-b:6,7-b']dithiophene

Structural Information

Molecular Formula
C18H10S2
SMILES
C1=CSC2=CC3=CC4=C(C=C3C=C21)C=C5C(=C4)C=CS5
InChI
InChI=1S/C18H10S2/c1-3-19-17-9-15-8-14-6-12-2-4-20-18(12)10-16(14)7-13(15)5-11(1)17/h1-10H
InChIKey
DAMUWSYTQPWFIY-UHFFFAOYSA-N
Compound name
6,16-dithiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3(11),4,7,9,12,14,17,19-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

290.0224 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.02968 156.5
[M+Na]+ 313.01162 175.1
[M+NH4]+ 308.05622 170.4
[M+K]+ 328.98556 163.6
[M-H]- 289.01512 163.6
[M+Na-2H]- 310.99707 165.5
[M]+ 290.02185 162.8
[M]- 290.02295 162.8
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