CID 170916126

At43088

Structural Information

Molecular Formula
C10H10O3S
SMILES
C1CC2=C(C(=CC=C2)C=O)S(=O)(=O)C1
InChI
InChI=1S/C10H10O3S/c11-7-9-4-1-3-8-5-2-6-14(12,13)10(8)9/h1,3-4,7H,2,5-6H2
InChIKey
VSZCEWRGFPVBLI-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-thiochromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.7
[M+Na]+ 233.02428 148.5
[M-H]- 209.02778 143.7
[M+NH4]+ 228.06888 161.2
[M+K]+ 248.99822 145.3
[M+H-H2O]+ 193.03232 133.8
[M+HCOO]- 255.03326 156.0
[M+CH3COO]- 269.04891 181.8
[M+Na-2H]- 231.00973 145.0
[M]+ 210.03451 140.7
[M]- 210.03561 140.7
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.