CID 13728730

109210-01-7

Structural Information

Molecular Formula
C10H10O3S
SMILES
C1CC2=C(C=CC(=C2)C=O)S(=O)(=O)C1
InChI
InChI=1S/C10H10O3S/c11-7-8-3-4-10-9(6-8)2-1-5-14(10,12)13/h3-4,6-7H,1-2,5H2
InChIKey
MPKDZTZRDDSCRW-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04234 141.6
[M+Na]+ 233.02428 154.4
[M+NH4]+ 228.06888 152.1
[M+K]+ 248.99822 143.9
[M-H]- 209.02778 143.7
[M+Na-2H]- 231.00973 148.7
[M]+ 210.03451 144.6
[M]- 210.03561 144.6
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

patents stripe