CID 25906

Anthraquinone, 2-(phenylthio)-

Structural Information

Molecular Formula
C20H12O2S
SMILES
C1=CC=C(C=C1)SC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C20H12O2S/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)23-13-6-2-1-3-7-13/h1-12H
InChIKey
UHLJBBJJVKIIOY-UHFFFAOYSA-N
Compound name
2-phenylsulfanylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

316.0558 Da
Monoisotopic Mass

4.9
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

No literature data available for this compound.

Patent stripe

patents stripe