CID 3050127

3-phenyl-4h-1-benzopyran-4-thione

Structural Information

Molecular Formula
C15H10OS
SMILES
C1=CC=C(C=C1)C2=COC3=CC=CC=C3C2=S
InChI
InChI=1S/C15H10OS/c17-15-12-8-4-5-9-14(12)16-10-13(15)11-6-2-1-3-7-11/h1-10H
InChIKey
ZJPQORXPVDQBEV-UHFFFAOYSA-N
Compound name
3-phenylchromene-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.04524 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05252 147.9
[M+Na]+ 261.03446 158.5
[M-H]- 237.03796 157.0
[M+NH4]+ 256.07906 166.2
[M+K]+ 277.00840 154.0
[M+H-H2O]+ 221.04250 141.2
[M+HCOO]- 283.04344 166.6
[M+CH3COO]- 297.05909 161.8
[M+Na-2H]- 259.01991 155.2
[M]+ 238.04469 150.5
[M]- 238.04579 150.5
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