CID 130113592

Ethyl 2-bromo-4h,5h,7h-thieno[2,3-c]pyran-3-carboxylate

Structural Information

Molecular Formula
C10H11BrO3S
SMILES
CCOC(=O)C1=C(SC2=C1CCOC2)Br
InChI
InChI=1S/C10H11BrO3S/c1-2-14-10(12)8-6-3-4-13-5-7(6)15-9(8)11/h2-5H2,1H3
InChIKey
ZUBYIWIXDVHCFB-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.968516 151.3
[M+Na]+ 312.950458 163.2
[M-H]- 288.953964 159.3
[M+NH4]+ 307.995063 173.1
[M+K]+ 328.924398 153.9
[M+H-H2O]+ 272.958500 152.8
[M+HCOO]- 334.959441 165.4
[M+CH3COO]- 348.975091 193.6
[M+Na-2H]- 310.935906 155.0
[M]+ 289.96069142 173.5
[M]- 289.96178858 173.5
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.