CID 515176

1-(10-oxophenoxathiin-2-yl)ethanone

Structural Information

Molecular Formula
C14H10O3S
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2=O
InChI
InChI=1S/C14H10O3S/c1-9(15)10-6-7-12-14(8-10)18(16)13-5-3-2-4-11(13)17-12/h2-8H,1H3
InChIKey
TXGIVGWRAKKNRM-UHFFFAOYSA-N
Compound name
1-(10-oxophenoxathiin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.03506 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04234 150.6
[M+Na]+ 281.02428 160.7
[M-H]- 257.02778 157.3
[M+NH4]+ 276.06888 169.0
[M+K]+ 296.99822 157.8
[M+H-H2O]+ 241.03232 144.5
[M+HCOO]- 303.03326 165.9
[M+CH3COO]- 317.04891 163.8
[M+Na-2H]- 279.00973 156.8
[M]+ 258.03451 154.8
[M]- 258.03561 154.8
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

No patent data available for this compound.