CID 69914

2-phenylthiochromen-4-one

Structural Information

Molecular Formula
C15H10OS
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C15H10OS/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChIKey
GIQPSSZMIZARDW-UHFFFAOYSA-N
Compound name
2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

97
Patents

238.04524 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05252 148.2
[M+Na]+ 261.03446 158.5
[M-H]- 237.03796 156.6
[M+NH4]+ 256.07906 167.6
[M+K]+ 277.00840 152.9
[M+H-H2O]+ 221.04250 141.4
[M+HCOO]- 283.04344 167.6
[M+CH3COO]- 297.05909 161.9
[M+Na-2H]- 259.01991 154.8
[M]+ 238.04469 150.3
[M]- 238.04579 150.3
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