CID 323666

63159-39-7

Structural Information

Molecular Formula
C13H12O4S
SMILES
C=C1CC2(CCS(=O)(=O)C3=CC=CC=C32)OC1=O
InChI
InChI=1S/C13H12O4S/c1-9-8-13(17-12(9)14)6-7-18(15,16)11-5-3-2-4-10(11)13/h2-5H,1,6-8H2
InChIKey
AHRMDTRMXQLGQT-UHFFFAOYSA-N
Compound name
3'-methylidene-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-oxolane]-2'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.04562 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.05290 152.1
[M+Na]+ 287.03484 163.0
[M-H]- 263.03834 160.0
[M+NH4]+ 282.07944 175.4
[M+K]+ 303.00878 160.0
[M+H-H2O]+ 247.04288 148.1
[M+HCOO]- 309.04382 167.4
[M+CH3COO]- 323.05947 165.8
[M+Na-2H]- 285.02029 157.4
[M]+ 264.04507 153.8
[M]- 264.04617 153.8
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.