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

78
Patents

290.0224 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.029676 161.2
[M+Na]+ 313.011618 177.8
[M-H]- 289.015124 170.9
[M+NH4]+ 308.056223 186.6
[M+K]+ 328.985558 170.6
[M+H-H2O]+ 273.019660 158.2
[M+HCOO]- 335.020601 178.4
[M+CH3COO]- 349.036251 176.4
[M+Na-2H]- 310.997066 167.6
[M]+ 290.02185142 171.3
[M]- 290.02294858 171.3
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