CID 6449267

132794-02-6

Structural Information

Molecular Formula
C17H14O4S
SMILES
COC1=CC=CC=C1/C=C/2\CS(=O)(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O4S/c1-21-15-8-4-2-6-12(15)10-13-11-22(19,20)16-9-5-3-7-14(16)17(13)18/h2-10H,11H2,1H3/b13-10+
InChIKey
OJYKFKKTLXEUFG-JLHYYAGUSA-N
Compound name
(3Z)-3-[(2-methoxyphenyl)methylidene]-1,1-dioxothiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06128 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06856 167.4
[M+Na]+ 337.05050 177.4
[M-H]- 313.05400 175.4
[M+NH4]+ 332.09510 185.6
[M+K]+ 353.02444 172.3
[M+H-H2O]+ 297.05854 160.3
[M+HCOO]- 359.05948 184.1
[M+CH3COO]- 373.07513 202.0
[M+Na-2H]- 335.03595 171.5
[M]+ 314.06073 170.6
[M]- 314.06183 170.6
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.