CID 217224

38322-77-9

Structural Information

Molecular Formula
C12H10O3S
SMILES
CCOC(=O)C1=CC(=S)C2=CC=CC=C2O1
InChI
InChI=1S/C12H10O3S/c1-2-14-12(13)10-7-11(16)8-5-3-4-6-9(8)15-10/h3-7H,2H2,1H3
InChIKey
DXWBCHFGULQNLY-UHFFFAOYSA-N
Compound name
ethyl 4-sulfanylidenechromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 146.3
[M+Na]+ 257.02428 156.2
[M-H]- 233.02778 152.3
[M+NH4]+ 252.06888 164.9
[M+K]+ 272.99822 153.9
[M+H-H2O]+ 217.03232 140.4
[M+HCOO]- 279.03326 163.9
[M+CH3COO]- 293.04891 188.6
[M+Na-2H]- 255.00973 151.7
[M]+ 234.03451 151.9
[M]- 234.03561 151.9
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.