CID 154577218

2418707-93-2

Structural Information

Molecular Formula
C10H8O4S
SMILES
CCOC(=O)C1=CC2=C(S1)C=C(O2)C=O
InChI
InChI=1S/C10H8O4S/c1-2-13-10(12)9-4-7-8(15-9)3-6(5-11)14-7/h3-5H,2H2,1H3
InChIKey
NULPWMPORAMOHI-UHFFFAOYSA-N
Compound name
ethyl 2-formylthieno[3,2-b]furan-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.01433 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02161 146.2
[M+Na]+ 247.00355 158.0
[M-H]- 223.00705 153.2
[M+NH4]+ 242.04815 169.1
[M+K]+ 262.97749 157.2
[M+H-H2O]+ 207.01159 142.7
[M+HCOO]- 269.01253 167.7
[M+CH3COO]- 283.02818 184.5
[M+Na-2H]- 244.98900 148.7
[M]+ 224.01378 155.9
[M]- 224.01488 155.9
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.