CID 339167

86406-07-7

Structural Information

Molecular Formula
C16H12O2S
SMILES
COC1=C2C(=CC=C1)SC(=CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12O2S/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKey
ZDXFSBAMCGHZIK-UHFFFAOYSA-N
Compound name
5-methoxy-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.0558 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06308 156.5
[M+Na]+ 291.04502 167.0
[M-H]- 267.04852 165.0
[M+NH4]+ 286.08962 174.9
[M+K]+ 307.01896 161.7
[M+H-H2O]+ 251.05306 149.3
[M+HCOO]- 313.05400 175.7
[M+CH3COO]- 327.06965 169.9
[M+Na-2H]- 289.03047 161.9
[M]+ 268.05525 160.7
[M]- 268.05635 160.7
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

No patent data available for this compound.