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]+ 211.042336 138.7
[M+Na]+ 233.024278 148.5
[M-H]- 209.027784 143.7
[M+NH4]+ 228.068883 161.2
[M+K]+ 248.998218 145.3
[M+H-H2O]+ 193.032320 133.8
[M+HCOO]- 255.033261 156.0
[M+CH3COO]- 269.048911 181.8
[M+Na-2H]- 231.009726 145.0
[M]+ 210.03451142 140.7
[M]- 210.03560858 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

patents stripe