CID 25905

Anthraquinone, 1-thiophenyl

Structural Information

Molecular Formula
C20H12O2S
SMILES
C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H12O2S/c21-19-14-9-4-5-10-15(14)20(22)18-16(19)11-6-12-17(18)23-13-7-2-1-3-8-13/h1-12H
InChIKey
FPRGJFFNVANESG-UHFFFAOYSA-N
Compound name
1-phenylsulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

223
Patents

316.0558 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06308 169.7
[M+Na]+ 339.04502 179.7
[M-H]- 315.04852 178.4
[M+NH4]+ 334.08962 186.7
[M+K]+ 355.01896 172.9
[M+H-H2O]+ 299.05306 161.7
[M+HCOO]- 361.05400 185.9
[M+CH3COO]- 375.06965 181.6
[M+Na-2H]- 337.03047 174.7
[M]+ 316.05525 172.1
[M]- 316.05635 172.1
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